1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine

C16H20N2O — CID 105115823

IUPAC1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
SMILESCOc1ccc(C(N)CCc2cccnc2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-12-10-14(19-2)6-7-15(12)16(17)8-5-13-4-3-9-18-11-13/h3-4,6-7,9-11,16H,5,8,17H2,1-2H3
InChIKeyPIGKZMHIPBAREV-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.03
Rot. Bonds5

About 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine

1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine (PubChem CID 105115823) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
PubChem CID105115823
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine
SMILESCOc1ccc(C(N)CCc2cccnc2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-12-10-14(19-2)6-7-15(12)16(17)8-5-13-4-3-9-18-11-13/h3-4,6-7,9-11,16H,5,8,17H2,1-2H3
InChIKeyPIGKZMHIPBAREV-UHFFFAOYSA-N
XLogP3.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine 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-(2,4-dimethoxyphenyl)-3-pyridin-3-ylpropan-1-ol
CID 105096059
1-(4-methoxy-2-methylphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 65313099
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 65318126
1-(2-fluoro-4-methoxyphenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 103397402
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
1-(2,4-dimethylphenyl)-2-pyridin-3-ylethanamine
CID 62802997
1-(5-propan-2-yloxy-3-pyridinyl)-3-pyridin-3-ylpropan-1-amine
CID 105176210
(4R)-4-amino-4-(4-methoxy-2-methylphenyl)butan-1-ol;hydrochloride
CID 171213822
1-(2-propan-2-yloxyphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105171022
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine (CID 105115823) is 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine is COc1ccc(C(N)CCc2cccnc2)c(C)c1.
What is the InChIKey of 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine?
The InChIKey is PIGKZMHIPBAREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-14(19-2)6-7-15(12)16(17)8-5-13-4-3-9-18-11-13/h3-4,6-7,9-11,16H,5,8,17H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine?
1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methylphenyl)-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 105115823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).