1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine

C17H22N2O — CID 105026478

IUPAC1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
SMILESCCOc1cncc(C(N)C(CC)c2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-3-16(13-8-6-5-7-9-13)17(18)14-10-15(20-4-2)12-19-11-14/h5-12,16-17H,3-4,18H2,1-2H3
InChIKeyCWYJEGYWNHORST-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.67
Rot. Bonds6

About 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine

1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine (PubChem CID 105026478) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
PubChem CID105026478
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
SMILESCCOc1cncc(C(N)C(CC)c2ccccc2)c1
InChIInChI=1S/C17H22N2O/c1-3-16(13-8-6-5-7-9-13)17(18)14-10-15(20-4-2)12-19-11-14/h5-12,16-17H,3-4,18H2,1-2H3
InChIKeyCWYJEGYWNHORST-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethoxy-3-pyridinyl)-4-phenylbutan-1-amine
CID 105175469
2-phenyl-1-quinolin-3-ylbutan-1-amine
CID 115798275
1-(3-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051796
1-(3-bromo-4-ethoxyphenyl)-2-phenylbutan-1-amine
CID 104657253
(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
CID 107357366
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
CID 83884024
(5-ethoxy-3-pyridinyl)-(2-ethylfuran-3-yl)methanamine
CID 114104489
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
CID 105026408
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-amine
CID 105051483

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine?
The IUPAC name of 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine (CID 105026478) is 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine.
What is the SMILES notation for 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine?
The canonical SMILES for 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine is CCOc1cncc(C(N)C(CC)c2ccccc2)c1.
What is the InChIKey of 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine?
The InChIKey is CWYJEGYWNHORST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-16(13-8-6-5-7-9-13)17(18)14-10-15(20-4-2)12-19-11-14/h5-12,16-17H,3-4,18H2,1-2H3.
What are the key properties of 1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine?
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.67, 6 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)-2-phenylbutan-1-amine is sourced from PubChem (CID 105026478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).