1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine

C17H22N2O — CID 105140831

IUPAC1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCCOc1ccc(C(CCc2ccccn2)NC)cc1
InChIInChI=1S/C17H22N2O/c1-3-20-16-10-7-14(8-11-16)17(18-2)12-9-15-6-4-5-13-19-15/h4-8,10-11,13,17-18H,3,9,12H2,1-2H3
InChIKeyHHESMOYPEFXKDF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.37
Rot. Bonds7

About 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine

1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 105140831) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
PubChem CID105140831
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
SMILESCCOc1ccc(C(CCc2ccccn2)NC)cc1
InChIInChI=1S/C17H22N2O/c1-3-20-16-10-7-14(8-11-16)17(18-2)12-9-15-6-4-5-13-19-15/h4-8,10-11,13,17-18H,3,9,12H2,1-2H3
InChIKeyHHESMOYPEFXKDF-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

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Related Compounds

N-methyl-1-(2-methylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105094755
1-(4-fluoro-3-methylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105143030
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(4-ethoxyphenyl)-N,5-dimethylhexan-1-amine
CID 105028805
N-methyl-1-(5-methyl-3-pyridinyl)-3-pyridin-2-ylpropan-1-amine
CID 105173940
N-methyl-1-(5-methylthiophen-3-yl)-3-pyridin-2-ylpropan-1-amine
CID 105155581
1-(4-ethoxyphenyl)-N-methyl-1-pyridin-2-ylmethanamine
CID 62791020
1-phenyl-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 105083650
1-(2,5-dimethylphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105120431
1-(4-ethoxyphenyl)-N-methylpent-4-en-1-amine
CID 104987516
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 116628886
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-pyridin-2-ylbutanamide
CID 95275156

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine (CID 105140831) is 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine is CCOc1ccc(C(CCc2ccccn2)NC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is HHESMOYPEFXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-20-16-10-7-14(8-11-16)17(18-2)12-9-15-6-4-5-13-19-15/h4-8,10-11,13,17-18H,3,9,12H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine?
1-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-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-(4-ethoxyphenyl)-N-methyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105140831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).