1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine

C15H18N2O — CID 105086648

IUPAC1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCOc1cccc(C(N)CCc2ccncc2)c1
InChIInChI=1S/C15H18N2O/c1-18-14-4-2-3-13(11-14)15(16)6-5-12-7-9-17-10-8-12/h2-4,7-11,15H,5-6,16H2,1H3
InChIKeyOSVXAWQXJVPORN-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.72
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine

1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine (PubChem CID 105086648) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
PubChem CID105086648
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
SMILESCOc1cccc(C(N)CCc2ccncc2)c1
InChIInChI=1S/C15H18N2O/c1-18-14-4-2-3-13(11-14)15(16)6-5-12-7-9-17-10-8-12/h2-4,7-11,15H,5-6,16H2,1H3
InChIKeyOSVXAWQXJVPORN-UHFFFAOYSA-N
XLogP2.72
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-(3-methylphenyl)propan-1-amine
CID 105086643
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105188013
1-(3-ethylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 105018704
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
(1S)-1-(3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171219723
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
1-(3-methoxyphenyl)-2-pyridin-3-yloxyethanamine
CID 117242794
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine (CID 105086648) is 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine is COc1cccc(C(N)CCc2ccncc2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
The InChIKey is OSVXAWQXJVPORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-14-4-2-3-13(11-14)15(16)6-5-12-7-9-17-10-8-12/h2-4,7-11,15H,5-6,16H2,1H3.
What are the key properties of 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine?
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine has a molecular weight of 242.32 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105086648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).