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

C15H17ClN2O — CID 112655524

IUPAC2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccncc2Cl)ccc1C
InChIInChI=1S/C15H17ClN2O/c1-10-3-4-12(8-15(10)19-2)14(17)7-11-5-6-18-9-13(11)16/h3-6,8-9,14H,7,17H2,1-2H3
InChIKeyHQJRXFXSJZYOGI-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.29
Rot. Bonds4

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

2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 112655524) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID112655524
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccncc2Cl)ccc1C
InChIInChI=1S/C15H17ClN2O/c1-10-3-4-12(8-15(10)19-2)14(17)7-11-5-6-18-9-13(11)16/h3-6,8-9,14H,7,17H2,1-2H3
InChIKeyHQJRXFXSJZYOGI-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

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791423
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
3-chloro-4-[2-chloro-2-(3,4-dimethoxyphenyl)ethyl]pyridine
CID 115985113
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(3-chloro-4-pyridinyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115984821
2-(3-chloro-4-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 112655443
2-(3-chloro-4-pyridinyl)-1-(3-iodophenyl)ethanamine
CID 112655522
2-(3-chloro-4-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115984888
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 112655524) is 2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine is COc1cc(C(N)Cc2ccncc2Cl)ccc1C.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is HQJRXFXSJZYOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10-3-4-12(8-15(10)19-2)14(17)7-11-5-6-18-9-13(11)16/h3-6,8-9,14H,7,17H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(3-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-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 112655524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).