2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

C16H20N2O — CID 107852234

IUPAC2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CCNCc2cncc(C)c2)c1
InChIInChI=1S/C16H20N2O/c1-13-8-15(12-18-10-13)11-17-7-6-14-4-3-5-16(9-14)19-2/h3-5,8-10,12,17H,6-7,11H2,1-2H3
InChIKeyJVOQKPLJDHCTAK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.73
Rot. Bonds6

About 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine

2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 107852234) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID107852234
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine
SMILESCOc1cccc(CCNCc2cncc(C)c2)c1
InChIInChI=1S/C16H20N2O/c1-13-8-15(12-18-10-13)11-17-7-6-14-4-3-5-16(9-14)19-2/h3-5,8-10,12,17H,6-7,11H2,1-2H3
InChIKeyJVOQKPLJDHCTAK-UHFFFAOYSA-N
XLogP2.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-[(5-methyl-3-pyridinyl)methyl]-3-phenoxypropan-1-amine
CID 102880836
1-(3-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62760836
N-[(3,5-dimethylphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 54940038
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine (CID 107852234) is 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is COc1cccc(CCNCc2cncc(C)c2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is JVOQKPLJDHCTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-8-15(12-18-10-13)11-17-7-6-14-4-3-5-16(9-14)19-2/h3-5,8-10,12,17H,6-7,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine?
2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[(5-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107852234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).