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

C16H21NS — CID 79007875

IUPAC1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine
SMILESCCC(Cc1ccccc1)NCCc1ccsc1
InChIInChI=1S/C16H21NS/c1-2-16(12-14-6-4-3-5-7-14)17-10-8-15-9-11-18-13-15/h3-7,9,11,13,16-17H,2,8,10,12H2,1H3
InChIKeyLZUAFAVOPQLKOJ-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.90
Rot. Bonds7

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

1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine (PubChem CID 79007875) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine
PubChem CID79007875
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine
SMILESCCC(Cc1ccccc1)NCCc1ccsc1
InChIInChI=1S/C16H21NS/c1-2-16(12-14-6-4-3-5-7-14)17-10-8-15-9-11-18-13-15/h3-7,9,11,13,16-17H,2,8,10,12H2,1H3
InChIKeyLZUAFAVOPQLKOJ-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 79007188
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
(2S)-2-amino-3-phenyl-N-(2-thiophen-3-ylethyl)propanamide
CID 78971343
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
N-methyl-4-phenyl-1-thiophen-3-ylbutan-2-amine
CID 61078547
2-(2-phenylethylamino)butan-1-ol
CID 17157372
1-thiophen-3-ylbutan-2-ylhydrazine
CID 105201099
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
(4-phenyl-1-thiophen-3-ylbutan-2-yl)hydrazine
CID 105205761

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine?
The IUPAC name of 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine (CID 79007875) is 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine.
What is the SMILES notation for 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine?
The canonical SMILES for 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine is CCC(Cc1ccccc1)NCCc1ccsc1.
What is the InChIKey of 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine?
The InChIKey is LZUAFAVOPQLKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-16(12-14-6-4-3-5-7-14)17-10-8-15-9-11-18-13-15/h3-7,9,11,13,16-17H,2,8,10,12H2,1H3.
What are the key properties of 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine?
1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine has a molecular weight of 259.42 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine is sourced from PubChem (CID 79007875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).