1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine

C15H17ClN2O — CID 66448703

IUPAC1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCOc1cc(Cl)ccc1C(N)C(C)c1ccncc1
InChIInChI=1S/C15H17ClN2O/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,17H2,1-2H3
InChIKeyJOSNABYSSYEBQK-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.55
Rot. Bonds4

About 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine

1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine (PubChem CID 66448703) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
PubChem CID66448703
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
SMILESCOc1cc(Cl)ccc1C(N)C(C)c1ccncc1
InChIInChI=1S/C15H17ClN2O/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,17H2,1-2H3
InChIKeyJOSNABYSSYEBQK-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-chloro-1-(4-chloro-2-methoxyphenyl)propan-2-yl]pyridine
CID 66461765
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
1-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446948
1-(2,6-dimethoxyphenyl)-2-pyridin-4-ylpropan-1-amine
CID 66446566
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454
1-(4-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 112705535
4-[1-bromo-1-(4-bromo-2-methoxyphenyl)propan-2-yl]pyridine
CID 115370365
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324
4-[1-bromo-1-(4-chloro-2-fluorophenyl)propan-2-yl]pyridine
CID 66453308
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
3-amino-2-(5-chloro-2-methoxyphenyl)-1-pyridin-4-ylpropan-1-ol
CID 65190567

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine (CID 66448703) is 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine is COc1cc(Cl)ccc1C(N)C(C)c1ccncc1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine?
The InChIKey is JOSNABYSSYEBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-10(11-5-7-18-8-6-11)15(17)13-4-3-12(16)9-14(13)19-2/h3-10,15H,17H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine?
1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine has a molecular weight of 276.77 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 66448703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).