1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine

C16H21NS — CID 81399284

IUPAC1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
SMILESCCCC(N[C@@H](C)c1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-3-8-15(14-9-5-4-6-10-14)17-13(2)16-11-7-12-18-16/h4-7,9-13,15,17H,3,8H2,1-2H3/t13-,15?/m0/s1
InChIKeyYIWDWICWLMKKQZ-CFMCSPIPSA-N
MW259.42 g/mol
LogP4.94
Rot. Bonds6

About 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine

1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine (PubChem CID 81399284) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
PubChem CID81399284
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine
SMILESCCCC(N[C@@H](C)c1cccs1)c1ccccc1
InChIInChI=1S/C16H21NS/c1-3-8-15(14-9-5-4-6-10-14)17-13(2)16-11-7-12-18-16/h4-7,9-13,15,17H,3,8H2,1-2H3/t13-,15?/m0/s1
InChIKeyYIWDWICWLMKKQZ-CFMCSPIPSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
CID 63454459
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482
1-(4-methylphenyl)-N-(1-thiophen-2-ylethyl)propan-1-amine
CID 43206039
1-(4-methylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398298
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81399236
N-[1-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962436
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-thiophen-2-ylbutan-1-amine
CID 54962931

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine?
The IUPAC name of 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine (CID 81399284) is 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine.
What is the SMILES notation for 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine?
The canonical SMILES for 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine is CCCC(N[C@@H](C)c1cccs1)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine?
The InChIKey is YIWDWICWLMKKQZ-CFMCSPIPSA-N. The full InChI is InChI=1S/C16H21NS/c1-3-8-15(14-9-5-4-6-10-14)17-13(2)16-11-7-12-18-16/h4-7,9-13,15,17H,3,8H2,1-2H3/t13-,15?/m0/s1.
What are the key properties of 1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine?
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]butan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 4.94, 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-thiophen-2-ylethyl]butan-1-amine is sourced from PubChem (CID 81399284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).