1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine

C16H20N2O2 — CID 105145160

IUPAC1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
SMILESCOc1ccc(C(N)CCc2ccccn2)c(OC)c1
InChIInChI=1S/C16H20N2O2/c1-19-13-7-8-14(16(11-13)20-2)15(17)9-6-12-5-3-4-10-18-12/h3-5,7-8,10-11,15H,6,9,17H2,1-2H3
InChIKeyKMVRBPAJMQUKNL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.73
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine

1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 105145160) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
PubChem CID105145160
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
SMILESCOc1ccc(C(N)CCc2ccccn2)c(OC)c1
InChIInChI=1S/C16H20N2O2/c1-19-13-7-8-14(16(11-13)20-2)15(17)9-6-12-5-3-4-10-18-12/h3-5,7-8,10-11,15H,6,9,17H2,1-2H3
InChIKeyKMVRBPAJMQUKNL-UHFFFAOYSA-N
XLogP2.73
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105179118
1-(2,4-dimethoxyphenyl)-3-phenoxypropan-1-amine
CID 62802951
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115861031
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
(1S)-1-(2,4-dimethoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171220642
2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethanamine
CID 43121506
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-one
CID 105097831
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine (CID 105145160) is 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine is COc1ccc(C(N)CCc2ccccn2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is KMVRBPAJMQUKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-13-7-8-14(16(11-13)20-2)15(17)9-6-12-5-3-4-10-18-12/h3-5,7-8,10-11,15H,6,9,17H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine?
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105145160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).