1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine

C17H22N2O — CID 105175469

IUPAC1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
SMILESCCOc1cncc(C(N)CCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-2-20-16-11-15(12-19-13-16)17(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13,17H,2,6,9-10,18H2,1H3
InChIKeyAACJCOXHNOMRNY-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.50
Rot. Bonds7

About 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine

1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine (PubChem CID 105175469) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
PubChem CID105175469
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
SMILESCCOc1cncc(C(N)CCCc2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-2-20-16-11-15(12-19-13-16)17(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13,17H,2,6,9-10,18H2,1H3
InChIKeyAACJCOXHNOMRNY-UHFFFAOYSA-N
XLogP3.50
TPSA48.14 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethoxyphenyl)-3-phenylpropan-1-amine
CID 60817898
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
[1-(5-methoxy-3-pyridinyl)-4-phenylbutyl]hydrazine
CID 105329812
(1R)-1,4-diphenylbutan-1-amine
CID 7131342
1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 62608343
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
3-pentan-2-yl-5-phenylmethoxypyridine
CID 166644961
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
CID 107357366
ethane;N-methylmethanamine;3-methyl-5-(3-phenylpropoxy)pyridine;propane
CID 145472833
N-[1-(3,5-diethoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 155595556

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine (CID 105175469) is 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine is CCOc1cncc(C(N)CCCc2ccccc2)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine?
The InChIKey is AACJCOXHNOMRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-20-16-11-15(12-19-13-16)17(18)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13,17H,2,6,9-10,18H2,1H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine?
1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine is sourced from PubChem (CID 105175469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).