4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine

C16H21NS — CID 81010267

IUPAC4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
SMILESCCc1ccc(CCC(CN)c2ccccc2)s1
InChIInChI=1S/C16H21NS/c1-2-15-10-11-16(18-15)9-8-14(12-17)13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12,17H2,1H3
InChIKeyKBFGHOBERAMIBZ-UHFFFAOYSA-N
MW259.42 g/mol
LogP3.99
Rot. Bonds6

About 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine

4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine (PubChem CID 81010267) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
PubChem CID81010267
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine
SMILESCCc1ccc(CCC(CN)c2ccccc2)s1
InChIInChI=1S/C16H21NS/c1-2-15-10-11-16(18-15)9-8-14(12-17)13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12,17H2,1H3
InChIKeyKBFGHOBERAMIBZ-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-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

2-[2-(5-ethylthiophen-2-yl)ethyl]propane-1,3-diamine
CID 83929368
2-phenylpentan-1-amine
CID 14321247
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
2-phenylbutane-1,4-diamine
CID 16770348
5-ethyl-2-phenylheptan-1-amine
CID 82935011
2-phenylundecan-1-amine
CID 57256894
4-butoxy-2-phenylbutan-1-amine
CID 65429103
2-phenylpentane-1,5-diamine
CID 22770284
2,5-diethylthiophene
CID 521294
2-(3-bromopentyl)-5-ethylthiophene
CID 63471038
2-benzhydryl-5-ethylthiophene
CID 177490577
N-[3-(5-ethylthiophen-2-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 65431365

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine?
The IUPAC name of 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine (CID 81010267) is 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine?
The canonical SMILES for 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine is CCc1ccc(CCC(CN)c2ccccc2)s1.
What is the InChIKey of 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine?
The InChIKey is KBFGHOBERAMIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-2-15-10-11-16(18-15)9-8-14(12-17)13-6-4-3-5-7-13/h3-7,10-11,14H,2,8-9,12,17H2,1H3.
What are the key properties of 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine?
4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine has a molecular weight of 259.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylthiophen-2-yl)-2-phenylbutan-1-amine is sourced from PubChem (CID 81010267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).