N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine

C16H20N2O2 — CID 62253339

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
SMILESCOc1ccc(CCNc2ncccc2C)cc1OC
InChIInChI=1S/C16H20N2O2/c1-12-5-4-9-17-16(12)18-10-8-13-6-7-14(19-2)15(11-13)20-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,18)
InChIKeyAWHIXKONCSAIEI-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine (PubChem CID 62253339) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
PubChem CID62253339
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
SMILESCOc1ccc(CCNc2ncccc2C)cc1OC
InChIInChI=1S/C16H20N2O2/c1-12-5-4-9-17-16(12)18-10-8-13-6-7-14(19-2)15(11-13)20-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,18)
InChIKeyAWHIXKONCSAIEI-UHFFFAOYSA-N
XLogP3.06
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-2,3-diamine;hydrochloride
CID 71627680
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 19685990
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyridin-2-amine
CID 105366661
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrimidin-2-amine
CID 63208375
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 43823384
N-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-amine
CID 701177
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2,6-dimethylphenyl)pyrimidine-4,6-diamine
CID 112862477
3-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylpyrazole-3,4-diamine
CID 103077847
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 22541698
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 118302959
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethylpyrimidin-2-amine;hydrochloride
CID 2969423
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(3-methoxyphenyl)pyrazin-2-one
CID 20941622

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine (CID 62253339) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine is COc1ccc(CCNc2ncccc2C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine?
The InChIKey is AWHIXKONCSAIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-5-4-9-17-16(12)18-10-8-13-6-7-14(19-2)15(11-13)20-3/h4-7,9,11H,8,10H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine has a molecular weight of 272.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 62253339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).