3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine

C165H272B4F5N29O14S — CID 161190832

IUPAC3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1(N)CCCCC1.CC(C)Nc1ccc(B(O)O)cc1.CC(C)Nc1ccc(F)c(F)c1.CC(C)Nc1ccc(F)cn1.CC(C)Nc1ccc(F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1cccc(B(O)O)c1.CC(C)Nc1ccccc1B(O)O.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CCCOC1(CNC(C)C)CCCCC1.COCC1(CNC(C)C)CCCCC1.COc1cc(NC(C)C)ccc1B(O)O.Cc1cc(NC(C)C)ccc1F.Cc1ccc(NC(C)C)cn1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nnc(NC(C)C)o1
InChIInChI=1S/C13H27NO.C12H19N3O.C12H25NO.C10H16BNO3.C10H14FN.C10H22N2.3C9H14BNO2.C9H11F2N.C9H14N2.2C8H11FN2.2C8H12N2.C8H13NO.C7H12N2S.C6H11N3O/c1-4-10-15-13(11-14-12(2)3)8-6-5-7-9-13;1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-11(2)13-9-12(10-14-3)7-5-4-6-8-12;1-7(2)12-8-4-5-9(11(13)14)10(6-8)15-3;1-7(2)12-9-4-5-10(11)8(3)6-9;1-9(2)12-8-10(11)6-4-3-5-7-10;1-7(2)11-9-5-3-8(4-6-9)10(12)13;1-7(2)11-9-5-3-4-8(6-9)10(12)13;1-7(2)11-9-6-4-3-5-8(9)10(12)13;1-6(2)12-7-3-4-8(10)9(11)5-7;1-7(2)11-9-5-4-8(3)10-6-9;1-6(2)11-7-3-4-8(9)10-5-7;1-6(2)11-8-4-3-7(9)5-10-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-5(2)8-7-9-6(3)4-10-7;1-4(2)7-6-9-8-5(3)10-6/h12,14H,4-11H2,1-3H3;3-4,9-10,14H,5-8H2,1-2H3;11,13H,4-10H2,1-3H3;4-7,12-14H,1-3H3;4-7,12H,1-3H3;9,12H,3-8,11H2,1-2H3;3*3-7,11-13H,1-2H3;3-6,12H,1-2H3;4-7,11H,1-3H3;3-6,11H,1-2H3;3-6H,1-2H3,(H,10,11);3-7,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9)
InChIKeyUTRUYCCIBBXCEC-UHFFFAOYSA-N
MW3056.48 g/mol
LogP31.55
Rot. Bonds50

About 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine

3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine (PubChem CID 161190832) has the molecular formula C165H272B4F5N29O14S and a molecular weight of 3056.48 g/mol. Its IUPAC name is 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound Name3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine
PubChem CID161190832
Molecular FormulaC165H272B4F5N29O14S
Molecular Weight3056.48 g/mol
Exact Mass3055.15
IUPAC Name3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine
SMILESCC(C)NCC1(N)CCCCC1.CC(C)Nc1ccc(B(O)O)cc1.CC(C)Nc1ccc(F)c(F)c1.CC(C)Nc1ccc(F)cn1.CC(C)Nc1ccc(F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1cccc(B(O)O)c1.CC(C)Nc1ccccc1B(O)O.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CCCOC1(CNC(C)C)CCCCC1.COCC1(CNC(C)C)CCCCC1.COc1cc(NC(C)C)ccc1B(O)O.Cc1cc(NC(C)C)ccc1F.Cc1ccc(NC(C)C)cn1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nnc(NC(C)C)o1
InChIInChI=1S/C13H27NO.C12H19N3O.C12H25NO.C10H16BNO3.C10H14FN.C10H22N2.3C9H14BNO2.C9H11F2N.C9H14N2.2C8H11FN2.2C8H12N2.C8H13NO.C7H12N2S.C6H11N3O/c1-4-10-15-13(11-14-12(2)3)8-6-5-7-9-13;1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-11(2)13-9-12(10-14-3)7-5-4-6-8-12;1-7(2)12-8-4-5-9(11(13)14)10(6-8)15-3;1-7(2)12-9-4-5-10(11)8(3)6-9;1-9(2)12-8-10(11)6-4-3-5-7-10;1-7(2)11-9-5-3-8(4-6-9)10(12)13;1-7(2)11-9-5-3-4-8(6-9)10(12)13;1-7(2)11-9-6-4-3-5-8(9)10(12)13;1-6(2)12-7-3-4-8(10)9(11)5-7;1-7(2)11-9-5-4-8(3)10-6-9;1-6(2)11-7-3-4-8(9)10-5-7;1-6(2)11-8-4-3-7(9)5-10-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-5(2)8-7-9-6(3)4-10-7;1-4(2)7-6-9-8-5(3)10-6/h12,14H,4-11H2,1-3H3;3-4,9-10,14H,5-8H2,1-2H3;11,13H,4-10H2,1-3H3;4-7,12-14H,1-3H3;4-7,12H,1-3H3;9,12H,3-8,11H2,1-2H3;3*3-7,11-13H,1-2H3;3-6,12H,1-2H3;4-7,11H,1-3H3;3-6,11H,1-2H3;3-6H,1-2H3,(H,10,11);3-7,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9)
InChIKeyUTRUYCCIBBXCEC-UHFFFAOYSA-N
XLogP31.55
TPSA586.85 Ų
H-Bond Donors27
H-Bond Acceptors44
Rotatable Bonds50
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003056.48
LogP ≤ 531.55
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine 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

2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpropan-2-amine;3,4-dimethyl-N-propan-2-ylaniline;3-fluoro-4-methyl-N-propan-2-ylaniline;[2-methoxy-4-(propan-2-ylamino)phenyl]-methylborinic acid;methyl-[3-(propan-2-ylamino)phenyl]borinic acid;methyl-[4-(propan-2-ylamino)phenyl]borinic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;1-methyl-N-propan-2-ylpyrazol-3-amine;5-methyl-N-propan-2-ylpyridin-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[2-(propan-2-ylamino)-1,3-thiazol-4-yl]methanol;N-propan-2-ylaniline;N-propan-2-yl-1-propylpyrazol-3-amine;N-propan-2-ylpyridin-2-amine;N-propan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 158395729

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine?
The IUPAC name of 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine (CID 161190832) is 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine?
The canonical SMILES for 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine is CC(C)NCC1(N)CCCCC1.CC(C)Nc1ccc(B(O)O)cc1.CC(C)Nc1ccc(F)c(F)c1.CC(C)Nc1ccc(F)cn1.CC(C)Nc1ccc(F)nc1.CC(C)Nc1ccc(N2CCOCC2)nc1.CC(C)Nc1cccc(B(O)O)c1.CC(C)Nc1ccccc1B(O)O.CC(C)Nc1ccccn1.CC(C)Nc1cccnc1.CCCOC1(CNC(C)C)CCCCC1.COCC1(CNC(C)C)CCCCC1.COc1cc(NC(C)C)ccc1B(O)O.Cc1cc(NC(C)C)ccc1F.Cc1ccc(NC(C)C)cn1.Cc1coc(NC(C)C)c1.Cc1csc(NC(C)C)n1.Cc1nnc(NC(C)C)o1.
What is the InChIKey of 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine?
The InChIKey is UTRUYCCIBBXCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO.C12H19N3O.C12H25NO.C10H16BNO3.C10H14FN.C10H22N2.3C9H14BNO2.C9H11F2N.C9H14N2.2C8H11FN2.2C8H12N2.C8H13NO.C7H12N2S.C6H11N3O/c1-4-10-15-13(11-14-12(2)3)8-6-5-7-9-13;1-10(2)14-11-3-4-12(13-9-11)15-5-7-16-8-6-15;1-11(2)13-9-12(10-14-3)7-5-4-6-8-12;1-7(2)12-8-4-5-9(11(13)14)10(6-8)15-3;1-7(2)12-9-4-5-10(11)8(3)6-9;1-9(2)12-8-10(11)6-4-3-5-7-10;1-7(2)11-9-5-3-8(4-6-9)10(12)13;1-7(2)11-9-5-3-4-8(6-9)10(12)13;1-7(2)11-9-6-4-3-5-8(9)10(12)13;1-6(2)12-7-3-4-8(10)9(11)5-7;1-7(2)11-9-5-4-8(3)10-6-9;1-6(2)11-7-3-4-8(9)10-5-7;1-6(2)11-8-4-3-7(9)5-10-8;1-7(2)10-8-4-3-5-9-6-8;1-7(2)10-8-5-3-4-6-9-8;1-6(2)9-8-4-7(3)5-10-8;1-5(2)8-7-9-6(3)4-10-7;1-4(2)7-6-9-8-5(3)10-6/h12,14H,4-11H2,1-3H3;3-4,9-10,14H,5-8H2,1-2H3;11,13H,4-10H2,1-3H3;4-7,12-14H,1-3H3;4-7,12H,1-3H3;9,12H,3-8,11H2,1-2H3;3*3-7,11-13H,1-2H3;3-6,12H,1-2H3;4-7,11H,1-3H3;3-6,11H,1-2H3;3-6H,1-2H3,(H,10,11);3-7,10H,1-2H3;3-7H,1-2H3,(H,9,10);4-6,9H,1-3H3;4-5H,1-3H3,(H,8,9);4H,1-3H3,(H,7,9).
What are the key properties of 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine?
3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine has a molecular weight of 3056.48 g/mol, XLogP of 31.55, 50 rotatable bonds, 27 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-propan-2-ylaniline;4-fluoro-3-methyl-N-propan-2-ylaniline;5-fluoro-N-propan-2-ylpyridin-2-amine;6-fluoro-N-propan-2-ylpyridin-3-amine;N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine;[2-methoxy-4-(propan-2-ylamino)phenyl]boronic acid;4-methyl-N-propan-2-ylfuran-2-amine;5-methyl-N-propan-2-yl-1,3,4-oxadiazol-2-amine;6-methyl-N-propan-2-ylpyridin-3-amine;4-methyl-N-propan-2-yl-1,3-thiazol-2-amine;6-morpholin-4-yl-N-propan-2-ylpyridin-3-amine;1-[(propan-2-ylamino)methyl]cyclohexan-1-amine;[2-(propan-2-ylamino)phenyl]boronic acid;[3-(propan-2-ylamino)phenyl]boronic acid;[4-(propan-2-ylamino)phenyl]boronic acid;N-propan-2-ylpyridin-2-amine;N-propan-2-ylpyridin-3-amine;N-[(1-propoxycyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 161190832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).