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

C17H22N2 — CID 81406430

IUPAC1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
SMILESCCCC(N[C@@H](C)c1ccncc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-3-7-17(16-8-5-4-6-9-16)19-14(2)15-10-12-18-13-11-15/h4-6,8-14,17,19H,3,7H2,1-2H3/t14-,17?/m0/s1
InChIKeyXARMLMGLUWYSHO-MBIQTGHCSA-N
MW254.38 g/mol
LogP4.27
Rot. Bonds6

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

1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine (PubChem CID 81406430) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
PubChem CID81406430
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
SMILESCCCC(N[C@@H](C)c1ccncc1)c1ccccc1
InChIInChI=1S/C17H22N2/c1-3-7-17(16-8-5-4-6-9-16)19-14(2)15-10-12-18-13-11-15/h4-6,8-14,17,19H,3,7H2,1-2H3/t14-,17?/m0/s1
InChIKeyXARMLMGLUWYSHO-MBIQTGHCSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]hexan-1-amine
CID 81395700
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
3-methyl-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81405533
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-1-amine
CID 81359932
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-phenylbutan-1-amine
CID 81369195
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
CID 81399284
1-(4-methylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405927

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine?
The IUPAC name of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine (CID 81406430) is 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine?
The canonical SMILES for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine is CCCC(N[C@@H](C)c1ccncc1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine?
The InChIKey is XARMLMGLUWYSHO-MBIQTGHCSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-7-17(16-8-5-4-6-9-16)19-14(2)15-10-12-18-13-11-15/h4-6,8-14,17,19H,3,7H2,1-2H3/t14-,17?/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine?
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine is sourced from PubChem (CID 81406430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).