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

C16H21NS — CID 79007188

IUPAC1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
SMILESCCC(Cc1ccccc1)NCCc1cccs1
InChIInChI=1S/C16H21NS/c1-2-15(13-14-7-4-3-5-8-14)17-11-10-16-9-6-12-18-16/h3-9,12,15,17H,2,10-11,13H2,1H3
InChIKeyBVEPLHLNEVUBBC-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.90
Rot. Bonds7

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

1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine (PubChem CID 79007188) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
PubChem CID79007188
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
SMILESCCC(Cc1ccccc1)NCCc1cccs1
InChIInChI=1S/C16H21NS/c1-2-15(13-14-7-4-3-5-8-14)17-11-10-16-9-6-12-18-16/h3-9,12,15,17H,2,10-11,13H2,1H3
InChIKeyBVEPLHLNEVUBBC-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

Analyze 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-2-(2-thiophen-2-ylethylamino)propan-1-ol
CID 63775301
1-phenyl-N-(2-thiophen-3-ylethyl)butan-2-amine
CID 79007875
N-propyl-1-pyridin-4-yl-4-thiophen-2-ylbutan-2-amine
CID 63775624
N-pentan-3-yl-2-(2-thiophen-2-ylethylamino)propanamide
CID 43112690
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
1-(4-methoxyphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 63775376
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568
1-(4-chlorophenyl)-N-ethyl-4-thiophen-2-ylbutan-2-amine
CID 63774235
2-methyl-N-(2-thiophen-2-ylethyl)butan-1-amine
CID 43201407

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The IUPAC name of 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine (CID 79007188) is 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine.
What is the SMILES notation for 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The canonical SMILES for 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine is CCC(Cc1ccccc1)NCCc1cccs1.
What is the InChIKey of 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
The InChIKey is BVEPLHLNEVUBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-15(13-14-7-4-3-5-8-14)17-11-10-16-9-6-12-18-16/h3-9,12,15,17H,2,10-11,13H2,1H3.
What are the key properties of 1-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine?
1-phenyl-N-(2-thiophen-2-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-2-ylethyl)butan-2-amine is sourced from PubChem (CID 79007188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).