N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine

C21H22N2O — CID 54373068

IUPACN-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine
SMILESCOc1ccc(C(CCNc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O/c1-24-19-12-10-18(11-13-19)20(17-7-3-2-4-8-17)14-16-23-21-9-5-6-15-22-21/h2-13,15,20H,14,16H2,1H3,(H,22,23)
InChIKeyUUOWHFLATBUTBR-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.72
Rot. Bonds7

About N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine

N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine (PubChem CID 54373068) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine
PubChem CID54373068
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine
SMILESCOc1ccc(C(CCNc2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2O/c1-24-19-12-10-18(11-13-19)20(17-7-3-2-4-8-17)14-16-23-21-9-5-6-15-22-21/h2-13,15,20H,14,16H2,1H3,(H,22,23)
InChIKeyUUOWHFLATBUTBR-UHFFFAOYSA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]aniline
CID 138980750
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
1-[3-(4-methoxyphenyl)butyl]-2-methyl-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111640579
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 66864566
1-tert-butyl-4-[1-(4-methoxyphenyl)-3-phenylpropyl]benzene
CID 168720165
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
CID 106504408
4-methoxy-N-(3-phenylbutyl)aniline
CID 15317290
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-3,3-diphenylpropan-1-amine
CID 1378355
1-(4-methoxyphenyl)-2-(pyridin-2-ylamino)propan-2-ol
CID 161335434
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518427
1-tert-butyl-4-[(4-methoxyphenyl)-phenylmethyl]benzene
CID 102293623

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine?
The IUPAC name of N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine (CID 54373068) is N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine.
What is the SMILES notation for N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine?
The canonical SMILES for N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine is COc1ccc(C(CCNc2ccccn2)c2ccccc2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine?
The InChIKey is UUOWHFLATBUTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-24-19-12-10-18(11-13-19)20(17-7-3-2-4-8-17)14-16-23-21-9-5-6-15-22-21/h2-13,15,20H,14,16H2,1H3,(H,22,23).
What are the key properties of N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine?
N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine has a molecular weight of 318.42 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)-3-phenylpropyl]pyridin-2-amine is sourced from PubChem (CID 54373068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).