N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine

C21H19F3N2O — CID 71661921

IUPACN-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
SMILESCOc1cccc(C(Nc2ncccc2C)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H19F3N2O/c1-14-6-5-11-25-20(14)26-19(16-8-4-10-18(13-16)27-2)15-7-3-9-17(12-15)21(22,23)24/h3-13,19H,1-2H3,(H,25,26)
InChIKeyCGJPDPNQFHVLCL-UHFFFAOYSA-N
MW372.39 g/mol
LogP5.62
Rot. Bonds5

About N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine

N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine (PubChem CID 71661921) has the molecular formula C21H19F3N2O and a molecular weight of 372.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
PubChem CID71661921
Molecular FormulaC21H19F3N2O
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC NameN-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine
SMILESCOc1cccc(C(Nc2ncccc2C)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C21H19F3N2O/c1-14-6-5-11-25-20(14)26-19(16-8-4-10-18(13-16)27-2)15-7-3-9-17(12-15)21(22,23)24/h3-13,19H,1-2H3,(H,25,26)
InChIKeyCGJPDPNQFHVLCL-UHFFFAOYSA-N
XLogP5.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001123
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
6-(2-(3'-Methoxybiphenyl-3-YL)ethyl)pyridin-2-amine
CID 11659487
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-(2-phenylpropan-2-yl)pyridin-2-amine
CID 9850277
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042
cis-1-(4-(2-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10871856
1-(2-(7-Methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)ethyl)-4-(pyridine-2-yl)piperazine
CID 10948133
5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-N-methyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 20640412

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine (CID 71661921) is N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine is COc1cccc(C(Nc2ncccc2C)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine?
The InChIKey is CGJPDPNQFHVLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O/c1-14-6-5-11-25-20(14)26-19(16-8-4-10-18(13-16)27-2)15-7-3-9-17(12-15)21(22,23)24/h3-13,19H,1-2H3,(H,25,26).
What are the key properties of N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine?
N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine has a molecular weight of 372.39 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 71661921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).