4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine

C17H22N2 — CID 79690841

IUPAC4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
SMILESCC(CCc1ccccc1)N[C@@H](C)c1cccnc1
InChIInChI=1S/C17H22N2/c1-14(10-11-16-7-4-3-5-8-16)19-15(2)17-9-6-12-18-13-17/h3-9,12-15,19H,10-11H2,1-2H3/t14?,15-/m0/s1
InChIKeyAVXZYIAGQSAVKP-LOACHALJSA-N
MW254.38 g/mol
LogP3.75
Rot. Bonds6

About 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine

4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine (PubChem CID 79690841) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine.

Molecular Properties

Compound Name4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
PubChem CID79690841
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
SMILESCC(CCc1ccccc1)N[C@@H](C)c1cccnc1
InChIInChI=1S/C17H22N2/c1-14(10-11-16-7-4-3-5-8-16)19-15(2)17-9-6-12-18-13-17/h3-9,12-15,19H,10-11H2,1-2H3/t14?,15-/m0/s1
InChIKeyAVXZYIAGQSAVKP-LOACHALJSA-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
(2S)-4-phenyl-N-[(1R)-1-phenylethyl]butan-2-amine
CID 12814796
N-(1-phenylethyl)-5-pyridin-3-ylpentan-2-amine
CID 70358697
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
CID 79007375
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
(4S)-4-[[(1S)-1-pyridin-3-ylethyl]amino]pentan-1-ol
CID 97051673
(2R)-3-methyl-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylbutanamide
CID 100653110
4-methyl-N-(1-pyridin-3-ylethyl)pentan-2-amine
CID 43203538
N-[(1R)-1-pyridin-3-ylethyl]hex-5-en-2-amine
CID 104583908
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
CID 104893867
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine?
The IUPAC name of 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine (CID 79690841) is 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine.
What is the SMILES notation for 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine?
The canonical SMILES for 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine is CC(CCc1ccccc1)N[C@@H](C)c1cccnc1.
What is the InChIKey of 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine?
The InChIKey is AVXZYIAGQSAVKP-LOACHALJSA-N. The full InChI is InChI=1S/C17H22N2/c1-14(10-11-16-7-4-3-5-8-16)19-15(2)17-9-6-12-18-13-17/h3-9,12-15,19H,10-11H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine?
4-phenyl-N-[(1S)-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 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine is sourced from PubChem (CID 79690841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).