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

C17H22N2 — CID 104893867

IUPAC4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
SMILESC[C@H](NCCCCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H22N2/c1-15(17-11-7-12-18-14-17)19-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15,19H,5-6,10,13H2,1H3/t15-/m0/s1
InChIKeyNQIXNTXKENTJKD-HNNXBMFYSA-N
MW254.38 g/mol
LogP3.76
Rot. Bonds7

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

4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine (PubChem CID 104893867) 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-1-amine.

Molecular Properties

Compound Name4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
PubChem CID104893867
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine
SMILESC[C@H](NCCCCc1ccccc1)c1cccnc1
InChIInChI=1S/C17H22N2/c1-15(17-11-7-12-18-14-17)19-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15,19H,5-6,10,13H2,1H3/t15-/m0/s1
InChIKeyNQIXNTXKENTJKD-HNNXBMFYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-pyridin-3-ylethyl]heptan-1-amine
CID 81407138
N-[(1S)-1-pyridin-3-ylethyl]nonan-1-amine
CID 81404154
6-(1-pyridin-3-ylethylamino)hexan-1-ol
CID 115906807
3-phenyl-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28646793
6-[[(1S)-1-pyridin-3-ylethyl]amino]hexanoic acid
CID 81405026
N-[1-(4-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 114333277
N-[(1S)-1-(3-methylphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893840
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-2-amine
CID 79690841
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-phenylbutan-1-amine
CID 104893847
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
5-(1-pyridin-3-ylethylamino)pentanamide
CID 103529775

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine?
The IUPAC name of 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine (CID 104893867) is 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine.
What is the SMILES notation for 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine?
The canonical SMILES for 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine is C[C@H](NCCCCc1ccccc1)c1cccnc1.
What is the InChIKey of 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine?
The InChIKey is NQIXNTXKENTJKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2/c1-15(17-11-7-12-18-14-17)19-13-6-5-10-16-8-3-2-4-9-16/h2-4,7-9,11-12,14-15,19H,5-6,10,13H2,1H3/t15-/m0/s1.
What are the key properties of 4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine?
4-phenyl-N-[(1S)-1-pyridin-3-ylethyl]butan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.76, 7 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-1-amine is sourced from PubChem (CID 104893867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).