N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine

C204H258Cl7F3N16O6S2 — CID 164984045

IUPACN-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCC(C)C(=O)c1n[nH]c2ccccc12.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)NCc1ccccc1.CC(C)NCc1ccccn1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1cc(F)ccc1Cl.CC(C)c1cc2c(C3CC3)cccc2o1.CC(C)c1cc2c(C3CC3)cccc2s1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(Cl)c1.CC(C)c1ncccc1Cl.Cc1cccc2oc(C(C)C)cc12.Cc1cccc2sc(C(C)C)cc12.Cc1cnc(C(C)C)cn1.Cc1cnc(COC(C)C)cn1
InChIInChI=1S/C14H16O.C14H16S.C12H17N.C12H14O.C12H14S.C11H12N2O.C11H12N2.C11H15N.C10H15N.C10H14O.C9H10Cl2.3C9H10ClF.C9H14N2O.C9H14N2.C9H13NO.2C8H10ClN.C8H12N2/c2*1-9(2)14-8-12-11(10-6-7-10)4-3-5-13(12)15-14;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-7(2)11(14)10-8-5-3-4-6-9(8)12-13-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)12-6-9-5-10-8(3)4-11-9;2*1-8(2)11-7-9-5-3-4-6-10-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-5-9-7(3)4-10-8/h2*3-5,8-10H,6-7H2,1-2H3;3-6,10H,7-9H2,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3,(H,12,13);3-8H,1-2H3;3-6,9H,7-8H2,1-2H3;3-7,9,11H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4*3-6H,1-2H3;4-5,7H,6H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3
InChIKeyFXABUDDNJFMQCC-UHFFFAOYSA-N
MW3399.71 g/mol
LogP60.19
Rot. Bonds33

About N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine

N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine (PubChem CID 164984045) has the molecular formula C204H258Cl7F3N16O6S2 and a molecular weight of 3399.71 g/mol. Its IUPAC name is N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine
PubChem CID164984045
Molecular FormulaC204H258Cl7F3N16O6S2
Molecular Weight3399.71 g/mol
Exact Mass3393.76
IUPAC NameN-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine
SMILESCC(C)C(=O)c1n[nH]c2ccccc12.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)NCc1ccccc1.CC(C)NCc1ccccn1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1cc(F)ccc1Cl.CC(C)c1cc2c(C3CC3)cccc2o1.CC(C)c1cc2c(C3CC3)cccc2s1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(Cl)c1.CC(C)c1ncccc1Cl.Cc1cccc2oc(C(C)C)cc12.Cc1cccc2sc(C(C)C)cc12.Cc1cnc(C(C)C)cn1.Cc1cnc(COC(C)C)cn1
InChIInChI=1S/C14H16O.C14H16S.C12H17N.C12H14O.C12H14S.C11H12N2O.C11H12N2.C11H15N.C10H15N.C10H14O.C9H10Cl2.3C9H10ClF.C9H14N2O.C9H14N2.C9H13NO.2C8H10ClN.C8H12N2/c2*1-9(2)14-8-12-11(10-6-7-10)4-3-5-13(12)15-14;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-7(2)11(14)10-8-5-3-4-6-9(8)12-13-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)12-6-9-5-10-8(3)4-11-9;2*1-8(2)11-7-9-5-3-4-6-10-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-5-9-7(3)4-10-8/h2*3-5,8-10H,6-7H2,1-2H3;3-6,10H,7-9H2,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3,(H,12,13);3-8H,1-2H3;3-6,9H,7-8H2,1-2H3;3-7,9,11H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4*3-6H,1-2H3;4-5,7H,6H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3
InChIKeyFXABUDDNJFMQCC-UHFFFAOYSA-N
XLogP60.19
TPSA259.16 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003399.71
LogP ≤ 560.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-benzylpropan-2-amine;6,6-dimethyl-2-propan-2-yl-3-azabicyclo[3.1.0]hexane;2-(3-methylbutyl)pyridine;2-methyl-5-(propan-2-yloxymethyl)pyrazine;3-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine
CID 167692114
N-benzylpropan-2-amine;1-phenyl-N-propan-2-ylcyclopropan-1-amine;2-phenyl-N-propan-2-ylpropan-2-amine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;(1-propan-2-yloxycyclopropyl)benzene;2-(1-propan-2-yloxycyclopropyl)pyridine;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyrazine;2-(propan-2-yloxymethyl)pyridine;2-propan-2-yloxypropan-2-ylbenzene;2-(2-propan-2-yloxypropan-2-yl)pyridine;2-propan-2-ylpyrazine;N-propan-2-yl-1-pyridin-2-ylcyclopropan-1-amine;N-propan-2-yl-2-pyridin-2-ylpropan-2-amine;N-(pyridin-2-ylmethyl)propan-2-amine
CID 165039470
1-chloro-3-fluoro-2-propan-2-ylbenzene;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;2-cyclopropyl-5-propan-2-ylpyridine;1,2-difluoro-3-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;1,3-dimethyl-4-propan-2-ylpyrazole;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylpyridine;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylnaphthalene;N-(4-propan-2-ylphenyl)acetamide;6-propan-2-ylquinoline
CID 159668864
5-chloro-2-propan-2-ylpyridine;cumene;5-fluoro-2-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;4-propan-2-yloxane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-5-(2,2,2-trifluoroethyl)pyridine
CID 159749726
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-indole;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;6-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylquinoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;5-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
CID 159294253
1-chloro-2-fluoro-4-propan-2-ylbenzene;1-chloro-4-fluoro-2-propan-2-ylbenzene;1-chloro-2-methyl-4-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;1-chloro-2-propan-2-yl-4-(trifluoromethoxy)benzene;1-chloro-2-propan-2-yl-4-(trifluoromethyl)benzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1-fluoro-2-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;2-fluoro-4-propan-2-ylbenzonitrile;2-fluoro-5-propan-2-ylbenzonitrile;2-(2-fluoro-5-propan-2-ylphenoxy)acetic acid;1-fluoro-2-propan-2-yl-4-(trifluoromethyl)benzene;1-iodo-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methoxy-2-propan-2-yl-4-(trifluoromethyl)benzene;(2S)-3-methylbutan-2-ol;3-methyl-1-phenylbutan-2-ol;2-methyl-5-propan-2-yl-1H-imidazole;3-methyl-1-propan-2-yloxybutan-2-ol;1-oxido-4-propan-2-ylpyridin-1-ium;1-propan-2-yl-2,4-bis(trifluoromethyl)benzene;4-propan-2-ylphenol;2-propan-2-ylpyridine
CID 158725398
1-chloro-2-fluoro-3-propan-2-ylbenzene;1-chloro-3-fluoro-2-propan-2-ylbenzene;1-chloro-3-fluoro-5-propan-2-ylbenzene;2-chloro-1-fluoro-3-propan-2-ylbenzene;1-cyclopropyl-2-propan-2-ylbenzene;1-cyclopropyl-3-propan-2-ylbenzene;1-cyclopropyl-4-propan-2-ylbenzene;1,3-dichloro-5-methyl-2-propan-2-ylbenzene;1,2-dichloro-3-propan-2-ylbenzene;1,2-dichloro-4-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,3-difluoro-5-propan-2-ylbenzene;5-fluoro-1,3-dimethyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;methane;3-methyl-3-propan-2-yl-2,4-dihydro-1H-naphthalene;(3-propan-2-ylphenyl)methanol;1-(2-propan-2-ylphenyl)piperidine;2-(2-propan-2-ylphenyl)pyridine
CID 161384708
bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);3-(difluoromethyl)-4-methylpentan-1-ol;3,3-difluoro-1-methyl-4-propan-2-ylpyrrolidine;3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine;1,2-difluoro-3-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;2,2-difluoro-4-propan-2-ylpyrrolidine;3,3-difluoro-4-propan-2-ylpyrrolidine;2,2-dimethyl-4-propan-2-yloxolane;1-ethyl-3,3-difluoro-4-propan-2-ylpyrrolidine;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;methyl 4-propan-2-ylbenzoate;4-methyl-2-propan-2-yl-1,3-thiazole;3-propan-2-ylcyclohexan-1-ol;2-propan-2-yl-2,3-dihydro-1H-indene;3-propan-2-yl-2,3-dihydro-1H-inden-1-ol;3-propan-2-yl-2,3-dihydroinden-1-one;(4-propan-2-ylphenyl)methanol;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 162018635
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 75497285
(6-fluoro-1-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone;oxalic acid
CID 53492790
(2S)-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-pyridazin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 170413362
bis(2-chloro-6-methyl-4-propan-2-ylpyridine);2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-chloro-2-propan-2-ylthiophene;5-fluoro-2-propan-2-ylpyridine;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-2-propan-2-ylthiophene;5-methyl-3-propan-2-yl-2-(trifluoromethyl)furan;2-nitro-5-propan-2-ylfuran;2-propan-2-ylfuran;5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyridine;2-propan-2-ylpyridin-3-ol;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,2,3-trifluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene;1,2,4-trifluoro-3-propan-2-ylbenzene;1,2,5-trifluoro-3-propan-2-ylbenzene
CID 161379617

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine (CID 164984045) is N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine is CC(C)C(=O)c1n[nH]c2ccccc12.CC(C)N1CCc2ccccc2C1.CC(C)N1Cc2ccccc2C1.CC(C)NCc1ccccc1.CC(C)NCc1ccccn1.CC(C)OCc1ccccc1.CC(C)OCc1ccccn1.CC(C)c1c(Cl)cccc1Cl.CC(C)c1cc(F)ccc1Cl.CC(C)c1cc2c(C3CC3)cccc2o1.CC(C)c1cc2c(C3CC3)cccc2s1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(F)cc1Cl.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc(Cl)c1.CC(C)c1ncccc1Cl.Cc1cccc2oc(C(C)C)cc12.Cc1cccc2sc(C(C)C)cc12.Cc1cnc(C(C)C)cn1.Cc1cnc(COC(C)C)cn1.
What is the InChIKey of N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine?
The InChIKey is FXABUDDNJFMQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O.C14H16S.C12H17N.C12H14O.C12H14S.C11H12N2O.C11H12N2.C11H15N.C10H15N.C10H14O.C9H10Cl2.3C9H10ClF.C9H14N2O.C9H14N2.C9H13NO.2C8H10ClN.C8H12N2/c2*1-9(2)14-8-12-11(10-6-7-10)4-3-5-13(12)15-14;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;2*1-8(2)12-7-10-9(3)5-4-6-11(10)13-12;1-7(2)11(14)10-8-5-3-4-6-9(8)12-13-10;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-9(2)12-7-10-5-3-4-6-11(10)8-12;2*1-9(2)11-8-10-6-4-3-5-7-10;1-6(2)9-7(10)4-3-5-8(9)11;1-6(2)8-5-7(11)3-4-9(8)10;1-6(2)8-4-3-7(11)5-9(8)10;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)12-6-9-5-10-8(3)4-11-9;2*1-8(2)11-7-9-5-3-4-6-10-9;1-6(2)7-3-8(9)5-10-4-7;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-5-9-7(3)4-10-8/h2*3-5,8-10H,6-7H2,1-2H3;3-6,10H,7-9H2,1-2H3;2*4-8H,1-3H3;3-7H,1-2H3,(H,12,13);3-8H,1-2H3;3-6,9H,7-8H2,1-2H3;3-7,9,11H,8H2,1-2H3;3-7,9H,8H2,1-2H3;4*3-6H,1-2H3;4-5,7H,6H2,1-3H3;3-6,8,11H,7H2,1-2H3;3-6,8H,7H2,1-2H3;2*3-6H,1-2H3;4-6H,1-3H3.
What are the key properties of N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine?
N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine has a molecular weight of 3399.71 g/mol, XLogP of 60.19, 33 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;1-chloro-4-fluoro-2-propan-2-ylbenzene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-chloro-4-fluoro-1-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;4-cyclopropyl-2-propan-2-yl-1-benzofuran;4-cyclopropyl-2-propan-2-yl-1-benzothiophene;1,3-dichloro-2-propan-2-ylbenzene;1-(1H-indazol-3-yl)-2-methylpropan-1-one;4-methyl-2-propan-2-yl-1-benzofuran;4-methyl-2-propan-2-yl-1-benzothiophene;2-methyl-5-(propan-2-yloxymethyl)pyrazine;2-methyl-5-propan-2-ylpyrazine;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;propan-2-yloxymethylbenzene;2-(propan-2-yloxymethyl)pyridine;2-propan-2-ylquinoxaline;N-(pyridin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 164984045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).