4-[3-(2-thiophen-3-ylethylamino)butyl]phenol

C16H21NOS — CID 61475292

IUPAC4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCc1ccsc1
InChIInChI=1S/C16H21NOS/c1-13(17-10-8-15-9-11-19-12-15)2-3-14-4-6-16(18)7-5-14/h4-7,9,11-13,17-18H,2-3,8,10H2,1H3
InChIKeyGBJYIOSYXXFQOZ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.61
Rot. Bonds7

About 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol

4-[3-(2-thiophen-3-ylethylamino)butyl]phenol (PubChem CID 61475292) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol.

Molecular Properties

Compound Name4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
PubChem CID61475292
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCCc1ccsc1
InChIInChI=1S/C16H21NOS/c1-13(17-10-8-15-9-11-19-12-15)2-3-14-4-6-16(18)7-5-14/h4-7,9,11-13,17-18H,2-3,8,10H2,1H3
InChIKeyGBJYIOSYXXFQOZ-UHFFFAOYSA-N
XLogP3.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol 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

4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
6-methyl-N-(2-thiophen-3-ylethyl)hept-5-en-2-amine
CID 115708370
N-(2-thiophen-3-ylethyl)hex-5-en-2-amine
CID 104581649
4-[3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]butyl]phenol
CID 104861996
hydron;4-[2-[4-(4-hydroxyphenyl)butan-2-ylamino]ethyl]benzene-1,2-diol;chloride
CID 54759025
4-[3-(5-methylhexylamino)butyl]phenol
CID 115324450
3-(2-thiophen-3-ylethylamino)butanenitrile
CID 61474150
(2R)-4-phenyl-N-(thiophen-3-ylmethyl)butan-2-amine
CID 28667748
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
4-[4-(4-hydroxyphenyl)butan-2-ylamino]butanoic acid
CID 54920474

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol?
The IUPAC name of 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol (CID 61475292) is 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol.
What is the SMILES notation for 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol?
The canonical SMILES for 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol is CC(CCc1ccc(O)cc1)NCCc1ccsc1.
What is the InChIKey of 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol?
The InChIKey is GBJYIOSYXXFQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-13(17-10-8-15-9-11-19-12-15)2-3-14-4-6-16(18)7-5-14/h4-7,9,11-13,17-18H,2-3,8,10H2,1H3.
What are the key properties of 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol?
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol has a molecular weight of 275.42 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-thiophen-3-ylethylamino)butyl]phenol is sourced from PubChem (CID 61475292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).