2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine

C15H17ClN2O — CID 106791423

IUPAC2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1ccncc1Cl
InChIInChI=1S/C15H17ClN2O/c1-10-3-4-12(15(7-10)19-2)14(17)8-11-5-6-18-9-13(11)16/h3-7,9,14H,8,17H2,1-2H3
InChIKeyQNUBUGHYUUCFEA-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.29
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine

2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine (PubChem CID 106791423) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
PubChem CID106791423
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C)ccc1C(N)Cc1ccncc1Cl
InChIInChI=1S/C15H17ClN2O/c1-10-3-4-12(15(7-10)19-2)14(17)8-11-5-6-18-9-13(11)16/h3-7,9,14H,8,17H2,1-2H3
InChIKeyQNUBUGHYUUCFEA-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine 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

1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
2-(2,5-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanamine
CID 105065635
2-(2-chloro-3-fluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791439
1-(4-bromo-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655718
2-(2,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791557
2-(4-bromo-2-chlorophenyl)-1-(4-bromo-2-methoxyphenyl)ethanamine
CID 105038050
3-chloro-4-[2-chloro-2-(2,5-dimethylphenyl)ethyl]pyridine
CID 112655906
4-[2-bromo-2-(5-chloro-2-methoxyphenyl)ethyl]-3-chloropyridine
CID 112656009

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine (CID 106791423) is 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine is COc1cc(C)ccc1C(N)Cc1ccncc1Cl.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
The InChIKey is QNUBUGHYUUCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-3-4-12(15(7-10)19-2)14(17)8-11-5-6-18-9-13(11)16/h3-7,9,14H,8,17H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine has a molecular weight of 276.77 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 106791423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).