N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium

C140H109Cl6F3N13S+ — CID 161250920

IUPACN-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium
SMILESClc1ccc(C(Nc2ccncc2)(c2ccccc2)c2ccccc2)cc1.Clc1ccccc1C(Nc1ccccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ccncc1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1.FC(F)(F)c1cc[n+](C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)[nH]1
InChIInChI=1S/3C24H19ClN2.C23H16ClF3N2.C23H18ClN3.C22H17ClN2S/c25-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-23-17-9-10-18-26-23;25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)27-21-15-17-26-18-16-21;25-22-13-11-21(12-14-22)24(19-7-3-1-4-8-19,20-9-5-2-6-10-20)27-23-15-17-26-18-16-23;24-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)29-16-15-21(28-29)23(25,26)27;24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22;23-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)25-21-24-15-16-26-21/h3*1-18H,(H,26,27);1-16H;1-17H,(H,25,26,27);1-16H,(H,24,25)/p+1
InChIKeyPELLCNZAUIAELN-UHFFFAOYSA-O
MW2275.28 g/mol
LogP35.97
Rot. Bonds29

About N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium

N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium (PubChem CID 161250920) has the molecular formula C140H109Cl6F3N13S+ and a molecular weight of 2275.28 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium
PubChem CID161250920
Molecular FormulaC140H109Cl6F3N13S+
Molecular Weight2275.28 g/mol
Exact Mass2270.67
IUPAC NameN-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium
SMILESClc1ccc(C(Nc2ccncc2)(c2ccccc2)c2ccccc2)cc1.Clc1ccccc1C(Nc1ccccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ccncc1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1.FC(F)(F)c1cc[n+](C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)[nH]1
InChIInChI=1S/3C24H19ClN2.C23H16ClF3N2.C23H18ClN3.C22H17ClN2S/c25-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-23-17-9-10-18-26-23;25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)27-21-15-17-26-18-16-21;25-22-13-11-21(12-14-22)24(19-7-3-1-4-8-19,20-9-5-2-6-10-20)27-23-15-17-26-18-16-23;24-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)29-16-15-21(28-29)23(25,26)27;24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22;23-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)25-21-24-15-16-26-21/h3*1-18H,(H,26,27);1-16H;1-17H,(H,25,26,27);1-16H,(H,24,25)/p+1
InChIKeyPELLCNZAUIAELN-UHFFFAOYSA-O
XLogP35.97
TPSA157.16 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002275.28
LogP ≤ 535.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium with MolForge

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Related Compounds

N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[6-(2-chlorophenyl)-4-methyl-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine;N-[6-(2-chlorophenyl)-4-(trifluoromethyl)-2-pyridinyl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-(2-cyclohexyl-6-methylpyrimidin-4-yl)-5-fluoro-1H-indazol-3-amine;5-fluoro-N-[6-methyl-2-[(1S,2S)-2-methylcyclohexyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157891348
1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;1-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 160997405
1-[(2-chlorophenyl)-diphenylmethyl]-3,5-dimethylpyrazole;1-[(2-chlorophenyl)-diphenylmethyl]-3-methylpyrazole;N-[(4-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;1-[(2-chlorophenyl)-diphenylmethyl]-3-(trifluoromethyl)pyrazole;N-[diphenyl-[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 161506795
2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160948203
benzene;2-chloro-5-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyridine;5-chloro-2-propan-2-ylpyrimidine;5-chloro-2-propan-2-yl-1,3-thiazole;1-methyl-4-methylsulfanylbenzene;tetrakis(2-methylpropane);1H-pyrazole;thiophene;1,2,4-trimethylbenzene;1,3-xylene;pentakis(1,4-xylene)
CID 161330055

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium?
The IUPAC name of N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium (CID 161250920) is N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium.
What is the SMILES notation for N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium?
The canonical SMILES for N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium is Clc1ccc(C(Nc2ccncc2)(c2ccccc2)c2ccccc2)cc1.Clc1ccccc1C(Nc1ccccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ccncc1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1ncccn1)(c1ccccc1)c1ccccc1.Clc1ccccc1C(Nc1nccs1)(c1ccccc1)c1ccccc1.FC(F)(F)c1cc[n+](C(c2ccccc2)(c2ccccc2)c2ccccc2Cl)[nH]1.
What is the InChIKey of N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium?
The InChIKey is PELLCNZAUIAELN-UHFFFAOYSA-O. The full InChI is InChI=1S/3C24H19ClN2.C23H16ClF3N2.C23H18ClN3.C22H17ClN2S/c25-22-16-8-7-15-21(22)24(19-11-3-1-4-12-19,20-13-5-2-6-14-20)27-23-17-9-10-18-26-23;25-23-14-8-7-13-22(23)24(19-9-3-1-4-10-19,20-11-5-2-6-12-20)27-21-15-17-26-18-16-21;25-22-13-11-21(12-14-22)24(19-7-3-1-4-8-19,20-9-5-2-6-10-20)27-23-15-17-26-18-16-23;24-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)29-16-15-21(28-29)23(25,26)27;24-21-15-8-7-14-20(21)23(18-10-3-1-4-11-18,19-12-5-2-6-13-19)27-22-25-16-9-17-26-22;23-20-14-8-7-13-19(20)22(17-9-3-1-4-10-17,18-11-5-2-6-12-18)25-21-24-15-16-26-21/h3*1-18H,(H,26,27);1-16H;1-17H,(H,25,26,27);1-16H,(H,24,25)/p+1.
What are the key properties of N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium?
N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium has a molecular weight of 2275.28 g/mol, XLogP of 35.97, 29 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-diphenylmethyl]pyridin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(4-chlorophenyl)-diphenylmethyl]pyridin-4-amine;N-[(2-chlorophenyl)-diphenylmethyl]pyrimidin-2-amine;N-[(2-chlorophenyl)-diphenylmethyl]-1,3-thiazol-2-amine;2-[(2-chlorophenyl)-diphenylmethyl]-5-(trifluoromethyl)-1H-pyrazol-2-ium is sourced from PubChem (CID 161250920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).