4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine

C20H22N4O — CID 130431724

IUPAC4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine
SMILESCOc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2N)c1
InChIInChI=1S/C20H22N4O/c1-25-15-9-5-8-14(11-15)16(10-13-6-3-2-4-7-13)17-12-18(21)24-20(23)19(17)22/h2-9,11-12,16H,10,22H2,1H3,(H4,21,23,24)
InChIKeyLHAJEQQWEJGCNH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.21
Rot. Bonds5

About 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine

4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine (PubChem CID 130431724) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine
PubChem CID130431724
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine
SMILESCOc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2N)c1
InChIInChI=1S/C20H22N4O/c1-25-15-9-5-8-14(11-15)16(10-13-6-3-2-4-7-13)17-12-18(21)24-20(23)19(17)22/h2-9,11-12,16H,10,22H2,1H3,(H4,21,23,24)
InChIKeyLHAJEQQWEJGCNH-UHFFFAOYSA-N
XLogP3.21
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-(3'-Methoxybiphenyl-3-YL)ethyl)pyridin-2-amine
CID 11659487
2-Amino-6-cyclopropyl-4-(4-methoxyphenyl)nicotinonitrile
CID 748928
2-Amino-6-(4-aminophenyl)-4-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile
CID 856325
3-(3-methoxyphenyl)-7-N,7-N-dimethylisoquinoline-1,7-diamine;hydrochloride
CID 24801852
3-(3-Methoxyphenyl)-6-methylisoquinolin-1-amine
CID 24952051
3-(3-Methoxyphenyl)-7-methylisoquinolin-1-amine
CID 24957047
2-[5-Methoxy-6-[(4-methoxyphenyl)methyl]-2-pyridinyl]-1-phenylguanidine
CID 44533055
1-[4-(2-Amino-4-pyridinyl)phenyl]-3-[(3-methoxyphenyl)methyl]urea
CID 68523303
3-(3-Methoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392573
2-Amino-4-(3,4-dimethoxyphenyl)-6-phenylnicotinonitrile
CID 856282
2-Amino-6-phenyl-4-(3-trifluoromethoxy-phenyl)-nicotinonitrile
CID 24950691
3-(5-Methoxy-2-methylphenyl)-7-methylisoquinolin-1-amine;hydrochloride
CID 49864763

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine (CID 130431724) is 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine is COc1cccc(C(Cc2ccccc2)c2cc(N)nc(N)c2N)c1.
What is the InChIKey of 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine?
The InChIKey is LHAJEQQWEJGCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-25-15-9-5-8-14(11-15)16(10-13-6-3-2-4-7-13)17-12-18(21)24-20(23)19(17)22/h2-9,11-12,16H,10,22H2,1H3,(H4,21,23,24).
What are the key properties of 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine?
4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine has a molecular weight of 334.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxyphenyl)-2-phenylethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 130431724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).