2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline

C232H323FN32O11S — CID 157394651

IUPAC2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline
SMILESC.Cc1c[nH]cc1CN1CCOCC1.Cc1ccc(CN2CCOCC2)cc1.Cc1ccc(N)c(F)c1.Cc1ccc(N2CCC(N)C2)cc1.Cc1ccc(N2CCC(N)CC2)nc1.Cc1ccc(N2CCCC2)nc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2[nH]ccc2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(N(C)C)c1.Cc1cccc2c1C=CC2.Cc1cccc2c1CCNC2.Cc1cccc2cnccc12.Cc1ccccc1CN1CCOCC1.Cc1ccoc1CN1CCCC1.Cc1ccoc1CN1CCOCC1.Cc1ccsc1CN1CCOCC1.Cc1coc(CN2CCCC2)c1.Cc1coc(CN2CCNCC2)c1
InChIInChI=1S/2C12H17NO.C12H17N.2C11H17N3.2C11H16N2.2C10H16N2O.C10H14N2O.C10H14N2.C10H15NO2.C10H15NOS.2C10H15NO.C10H13N.C10H9N.C10H10.C9H9N.C9H13N.C8H9NO.C8H11N.C7H8FN.CH4/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-3-4-11(12-9-10)14-7-5-13(2)6-8-14;1-9-2-3-11(13-8-9)14-6-4-10(12)5-7-14;1-9-2-4-11(5-3-9)13-7-6-10(12)8-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-6-11-7-10(9)8-12-2-4-13-5-3-12;1-9-6-10(13-8-9)7-12-4-2-11-3-5-12;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-9-4-5-10(11-8-9)12-6-2-3-7-12;1-9-2-5-13-10(9)8-11-3-6-12-7-4-11;1-9-2-7-13-10(9)8-11-3-5-12-6-4-11;1-9-4-7-12-10(9)8-11-5-2-3-6-11;1-9-6-10(12-8-9)7-11-4-2-3-5-11;2*1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-4-2-5-9-6-3-7-10(8)9;1-7-2-3-9-8(6-7)4-5-10-9;1-8-5-4-6-9(7-8)10(2)3;1-6-3-2-4-7(5-6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-5-2-3-7(9)6(8)4-5;/h2*2-5H,6-10H2,1H3;5-8H,2-4,9-10H2,1H3;3-4,9H,5-8H2,1-2H3;2-3,8,10H,4-7,12H2,1H3;2-5,10H,6-8,12H2,1H3;5-6,9H,2-4,7-8H2,1H3;6-7,11H,2-5,8H2,1H3;6,8,11H,2-5,7H2,1H3;2-3,8H,4-7H2,1H3;4-5,8H,2-3,6-7H2,1H3;2,5H,3-4,6-8H2,1H3;2,7H,3-6,8H2,1H3;4,7H,2-3,5-6,8H2,1H3;6,8H,2-5,7H2,1H3;2-4,11H,5-7H2,1H3;2-7H,1H3;2-5,7H,6H2,1H3;2-6,10H,1H3;4-7H,1-3H3;2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-4H,9H2,1H3;1H4
InChIKeyBMKQCLWZRVSYDL-UHFFFAOYSA-N
MW3787.41 g/mol
LogP42.24
Rot. Bonds26

About 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline

2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline (PubChem CID 157394651) has the molecular formula C232H323FN32O11S and a molecular weight of 3787.41 g/mol. Its IUPAC name is 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline.

Molecular Properties

Compound Name2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline
PubChem CID157394651
Molecular FormulaC232H323FN32O11S
Molecular Weight3787.41 g/mol
Exact Mass3784.54
IUPAC Name2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline
SMILESC.Cc1c[nH]cc1CN1CCOCC1.Cc1ccc(CN2CCOCC2)cc1.Cc1ccc(N)c(F)c1.Cc1ccc(N2CCC(N)C2)cc1.Cc1ccc(N2CCC(N)CC2)nc1.Cc1ccc(N2CCCC2)nc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2[nH]ccc2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(N(C)C)c1.Cc1cccc2c1C=CC2.Cc1cccc2c1CCNC2.Cc1cccc2cnccc12.Cc1ccccc1CN1CCOCC1.Cc1ccoc1CN1CCCC1.Cc1ccoc1CN1CCOCC1.Cc1ccsc1CN1CCOCC1.Cc1coc(CN2CCCC2)c1.Cc1coc(CN2CCNCC2)c1
InChIInChI=1S/2C12H17NO.C12H17N.2C11H17N3.2C11H16N2.2C10H16N2O.C10H14N2O.C10H14N2.C10H15NO2.C10H15NOS.2C10H15NO.C10H13N.C10H9N.C10H10.C9H9N.C9H13N.C8H9NO.C8H11N.C7H8FN.CH4/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-3-4-11(12-9-10)14-7-5-13(2)6-8-14;1-9-2-3-11(13-8-9)14-6-4-10(12)5-7-14;1-9-2-4-11(5-3-9)13-7-6-10(12)8-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-6-11-7-10(9)8-12-2-4-13-5-3-12;1-9-6-10(13-8-9)7-12-4-2-11-3-5-12;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-9-4-5-10(11-8-9)12-6-2-3-7-12;1-9-2-5-13-10(9)8-11-3-6-12-7-4-11;1-9-2-7-13-10(9)8-11-3-5-12-6-4-11;1-9-4-7-12-10(9)8-11-5-2-3-6-11;1-9-6-10(12-8-9)7-11-4-2-3-5-11;2*1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-4-2-5-9-6-3-7-10(8)9;1-7-2-3-9-8(6-7)4-5-10-9;1-8-5-4-6-9(7-8)10(2)3;1-6-3-2-4-7(5-6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-5-2-3-7(9)6(8)4-5;/h2*2-5H,6-10H2,1H3;5-8H,2-4,9-10H2,1H3;3-4,9H,5-8H2,1-2H3;2-3,8,10H,4-7,12H2,1H3;2-5,10H,6-8,12H2,1H3;5-6,9H,2-4,7-8H2,1H3;6-7,11H,2-5,8H2,1H3;6,8,11H,2-5,7H2,1H3;2-3,8H,4-7H2,1H3;4-5,8H,2-3,6-7H2,1H3;2,5H,3-4,6-8H2,1H3;2,7H,3-6,8H2,1H3;4,7H,2-3,5-6,8H2,1H3;6,8H,2-5,7H2,1H3;2-4,11H,5-7H2,1H3;2-7H,1H3;2-5,7H,6H2,1H3;2-6,10H,1H3;4-7H,1-3H3;2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-4H,9H2,1H3;1H4
InChIKeyBMKQCLWZRVSYDL-UHFFFAOYSA-N
XLogP42.24
TPSA443.17 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003787.41
LogP ≤ 542.24
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butylbenzene;bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
CID 157716365
CID 157886959
CID 157886959
2-[4-[2-[6-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]piperidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-[2-(5-methylfuran-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]ethyl]phenyl]acetamide;5-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-6-[3-[4-(trifluoromethyl)phenyl]morpholin-4-yl]pyrimidin-4-amine;2-[4-[2-[5-fluoro-6-(2-naphthalen-1-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide;2-[4-[2-[5-fluoro-6-(2-naphthalen-2-ylpyrrolidin-1-yl)pyrimidin-4-yl]ethyl]phenyl]acetamide
CID 158580228
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
tert-butylbenzene;1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165007738
bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;1-tert-butylpiperidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene
CID 165068091
N-[[4-[2-(2-amino-3-pyridinyl)-5-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide;2-[4-[2-(2-amino-3-pyridinyl)-6-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]-N-(2-methylquinolin-6-yl)acetamide;N-[[4-[2-(2-amino-3-pyridinyl)-5-thiophen-3-ylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-3-fluorobenzamide
CID 89120208
2-[5-(1H-benzimidazol-2-yl)-7-(furan-2-yl)-6-(1H-imidazol-2-yl)-1-pyridin-2-yl-4-pyrimidin-2-yl-3-thiophen-2-ylindol-2-yl]quinoline
CID 141084873
2-cyclopropyl-N-(5-fluoro-4,8-dimethyl-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-(difluoromethyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)phenyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[6-(furan-2-yl)-3-pyridinyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-4-propan-2-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157171687
2-(4-Acetylpiperazin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(4-acetylpiperazin-1-yl)-5-[8-(4-fluorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;2-(3-aminoazetidin-1-yl)-5-[8-(3-cyanophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;3-[8-(furan-3-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile;4-methyl-3-(3-methyl-2-oxo-8-thiophen-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile
CID 157205576
1H-benzimidazol-2-ylmethyl(methanidyl)azanium;(1-benzylpiperidin-4-yl)-methanidylazanium;[4-(diethylamino)phenyl]-methanidylazanium;(2,6-difluorophenyl)methyl-methanidylazanium;2-(dimethylamino)ethyl-methanidylazanium;3-(dimethylamino)propyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;6-hydroxyhexyl(methanidyl)azanium;3-imidazol-1-ylpropyl(methanidyl)azanium;1H-indazol-5-yl(methanidyl)azanium;isoquinolin-5-yl(methanidyl)azanium;1-methanidyl-4-methylpiperazin-1-ium;methanidyl-[2-(1-methylpyrrolidin-2-yl)ethyl]azanium;methanidyl(naphthalen-1-ylmethyl)azanium;methanidyl-[2-(2-oxoimidazolidin-1-yl)ethyl]azanium;methanidyl-(2-oxopiperidin-3-yl)azanium;methanidyl(2-phenylethyl)azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-3-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(2-thiophen-2-ylethyl)azanium
CID 157361253

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline?
The IUPAC name of 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline (CID 157394651) is 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline.
What is the SMILES notation for 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline?
The canonical SMILES for 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline is C.Cc1c[nH]cc1CN1CCOCC1.Cc1ccc(CN2CCOCC2)cc1.Cc1ccc(N)c(F)c1.Cc1ccc(N2CCC(N)C2)cc1.Cc1ccc(N2CCC(N)CC2)nc1.Cc1ccc(N2CCCC2)nc1.Cc1ccc(N2CCCCC2)cc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)nc1.Cc1ccc(N2CCOCC2)nc1.Cc1ccc2[nH]ccc2c1.Cc1cccc(C(N)=O)c1.Cc1cccc(CN)c1.Cc1cccc(N(C)C)c1.Cc1cccc2c1C=CC2.Cc1cccc2c1CCNC2.Cc1cccc2cnccc12.Cc1ccccc1CN1CCOCC1.Cc1ccoc1CN1CCCC1.Cc1ccoc1CN1CCOCC1.Cc1ccsc1CN1CCOCC1.Cc1coc(CN2CCCC2)c1.Cc1coc(CN2CCNCC2)c1.
What is the InChIKey of 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline?
The InChIKey is BMKQCLWZRVSYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17NO.C12H17N.2C11H17N3.2C11H16N2.2C10H16N2O.C10H14N2O.C10H14N2.C10H15NO2.C10H15NOS.2C10H15NO.C10H13N.C10H9N.C10H10.C9H9N.C9H13N.C8H9NO.C8H11N.C7H8FN.CH4/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-5-7-12(8-6-11)13-9-3-2-4-10-13;1-10-3-4-11(12-9-10)14-7-5-13(2)6-8-14;1-9-2-3-11(13-8-9)14-6-4-10(12)5-7-14;1-9-2-4-11(5-3-9)13-7-6-10(12)8-13;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-6-11-7-10(9)8-12-2-4-13-5-3-12;1-9-6-10(13-8-9)7-12-4-2-11-3-5-12;1-9-2-3-10(11-8-9)12-4-6-13-7-5-12;1-9-4-5-10(11-8-9)12-6-2-3-7-12;1-9-2-5-13-10(9)8-11-3-6-12-7-4-11;1-9-2-7-13-10(9)8-11-3-5-12-6-4-11;1-9-4-7-12-10(9)8-11-5-2-3-6-11;1-9-6-10(12-8-9)7-11-4-2-3-5-11;2*1-8-3-2-4-9-7-11-6-5-10(8)9;1-8-4-2-5-9-6-3-7-10(8)9;1-7-2-3-9-8(6-7)4-5-10-9;1-8-5-4-6-9(7-8)10(2)3;1-6-3-2-4-7(5-6)8(9)10;1-7-3-2-4-8(5-7)6-9;1-5-2-3-7(9)6(8)4-5;/h2*2-5H,6-10H2,1H3;5-8H,2-4,9-10H2,1H3;3-4,9H,5-8H2,1-2H3;2-3,8,10H,4-7,12H2,1H3;2-5,10H,6-8,12H2,1H3;5-6,9H,2-4,7-8H2,1H3;6-7,11H,2-5,8H2,1H3;6,8,11H,2-5,7H2,1H3;2-3,8H,4-7H2,1H3;4-5,8H,2-3,6-7H2,1H3;2,5H,3-4,6-8H2,1H3;2,7H,3-6,8H2,1H3;4,7H,2-3,5-6,8H2,1H3;6,8H,2-5,7H2,1H3;2-4,11H,5-7H2,1H3;2-7H,1H3;2-5,7H,6H2,1H3;2-6,10H,1H3;4-7H,1-3H3;2-5H,1H3,(H2,9,10);2-5H,6,9H2,1H3;2-4H,9H2,1H3;1H4.
What are the key properties of 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline?
2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline has a molecular weight of 3787.41 g/mol, XLogP of 42.24, 26 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylaniline;methane;3-methylbenzamide;4-[(3-methylfuran-2-yl)methyl]morpholine;1-[(4-methylfuran-2-yl)methyl]piperazine;1-[(3-methylfuran-2-yl)methyl]pyrrolidine;1-[(4-methylfuran-2-yl)methyl]pyrrolidine;4-methyl-1H-indene;5-methyl-1H-indole;5-methylisoquinoline;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;(3-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;4-[(4-methylphenyl)methyl]morpholine;1-(4-methylphenyl)piperidine;1-(4-methylphenyl)pyrrolidin-3-amine;5-methyl-2-piperidin-1-ylpyridine;4-(5-methyl-2-pyridinyl)morpholine;1-(5-methyl-2-pyridinyl)piperidin-4-amine;5-methyl-2-pyrrolidin-1-ylpyridine;4-[(4-methyl-1H-pyrrol-3-yl)methyl]morpholine;5-methyl-1,2,3,4-tetrahydroisoquinoline;4-[(3-methylthiophen-2-yl)methyl]morpholine;N,N,3-trimethylaniline is sourced from PubChem (CID 157394651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).