2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride

C15H19ClN2O — CID 17292499

IUPAC2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCOc1ccc(CCNCc2cccnc2)cc1.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-18-15-6-4-13(5-7-15)8-10-17-12-14-3-2-9-16-11-14;/h2-7,9,11,17H,8,10,12H2,1H3;1H
InChIKeyGPHPYWCLJOIWDB-UHFFFAOYSA-N
MW278.78 g/mol
LogP2.84
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride

2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride (PubChem CID 17292499) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
PubChem CID17292499
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
SMILESCOc1ccc(CCNCc2cccnc2)cc1.Cl
InChIInChI=1S/C15H18N2O.ClH/c1-18-15-6-4-13(5-7-15)8-10-17-12-14-3-2-9-16-11-14;/h2-7,9,11,17H,8,10,12H2,1H3;1H
InChIKeyGPHPYWCLJOIWDB-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 63264861
2-[(4-methoxyphenyl)methoxy]-N-(pyridin-3-ylmethyl)ethanamine
CID 62598715
2-(4-methoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758750
4-[2-(pyridin-3-ylmethylamino)ethyl]aniline
CID 82257248
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
5-methoxy-2-[(2-pyridin-3-ylethylamino)methyl]phenol
CID 61261961
2-(4-methoxyphenoxy)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 54803190
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride (CID 17292499) is 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride is COc1ccc(CCNCc2cccnc2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
The InChIKey is GPHPYWCLJOIWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.ClH/c1-18-15-6-4-13(5-7-15)8-10-17-12-14-3-2-9-16-11-14;/h2-7,9,11,17H,8,10,12H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride?
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 17292499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).