1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine

C17H22N2 — CID 79007375

IUPAC1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
SMILESCCC(Cc1ccccc1)NC(C)c1cccnc1
InChIInChI=1S/C17H22N2/c1-3-17(12-15-8-5-4-6-9-15)19-14(2)16-10-7-11-18-13-16/h4-11,13-14,17,19H,3,12H2,1-2H3
InChIKeyXHJBXKFRENOMBZ-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.75
Rot. Bonds6

About 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine

1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine (PubChem CID 79007375) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
PubChem CID79007375
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
SMILESCCC(Cc1ccccc1)NC(C)c1cccnc1
InChIInChI=1S/C17H22N2/c1-3-17(12-15-8-5-4-6-9-15)19-14(2)16-10-7-11-18-13-16/h4-11,13-14,17,19H,3,12H2,1-2H3
InChIKeyXHJBXKFRENOMBZ-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]propan-2-amine
CID 81407650
5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
CID 81405126
N-[(1S)-1-(3-methylphenyl)ethyl]-1-phenylbutan-2-amine
CID 81363641
N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404259
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
N-[(1S)-1-pyridin-3-ylethyl]undecan-6-amine
CID 81407378
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine?
The IUPAC name of 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine (CID 79007375) is 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine.
What is the SMILES notation for 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine?
The canonical SMILES for 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine is CCC(Cc1ccccc1)NC(C)c1cccnc1.
What is the InChIKey of 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine?
The InChIKey is XHJBXKFRENOMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-17(12-15-8-5-4-6-9-15)19-14(2)16-10-7-11-18-13-16/h4-11,13-14,17,19H,3,12H2,1-2H3.
What are the key properties of 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine?
1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine has a molecular weight of 254.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine is sourced from PubChem (CID 79007375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).