1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine

C17H22N2O — CID 105173190

IUPAC1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCCOc1cccc(C(CCc2ccncc2)NC)c1
InChIInChI=1S/C17H22N2O/c1-3-20-16-6-4-5-15(13-16)17(18-2)8-7-14-9-11-19-12-10-14/h4-6,9-13,17-18H,3,7-8H2,1-2H3
InChIKeyHMYFPLAIFSUPKK-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.37
Rot. Bonds7

About 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine

1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 105173190) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
PubChem CID105173190
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
SMILESCCOc1cccc(C(CCc2ccncc2)NC)c1
InChIInChI=1S/C17H22N2O/c1-3-20-16-6-4-5-15(13-16)17(18-2)8-7-14-9-11-19-12-10-14/h4-6,9-13,17-18H,3,7-8H2,1-2H3
InChIKeyHMYFPLAIFSUPKK-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-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-(3-ethoxyphenyl)-N-methyloctan-1-amine
CID 63414282
1-(3-ethoxyphenyl)-N-methylnonan-1-amine
CID 63414326
N-methyl-1-(4-propoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105144167
N-methyl-1-(4-methyl-3-pyridinyl)-3-pyridin-4-ylpropan-1-amine
CID 105164185
1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
1-(2-methoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 105093271
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 60818609
1-(3-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60871994
1-(3-ethoxyphenyl)-N-methyl-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048319
N-[(3-ethoxyphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 2227150
ethyl 3-(3-ethoxyphenyl)-3-(methylamino)propanoate
CID 65236327
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105086648

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine (CID 105173190) is 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine is CCOc1cccc(C(CCc2ccncc2)NC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is HMYFPLAIFSUPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-20-16-6-4-5-15(13-16)17(18-2)8-7-14-9-11-19-12-10-14/h4-6,9-13,17-18H,3,7-8H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine?
1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-methyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 105173190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).