4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol

C14H17NOS — CID 54953254

IUPAC4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
SMILESCC(NCCc1ccsc1)c1ccc(O)cc1
InChIInChI=1S/C14H17NOS/c1-11(13-2-4-14(16)5-3-13)15-8-6-12-7-9-17-10-12/h2-5,7,9-11,15-16H,6,8H2,1H3
InChIKeyKEWGYQKDZAHFBW-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.35
Rot. Bonds5

About 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol

4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol (PubChem CID 54953254) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol.

Molecular Properties

Compound Name4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
PubChem CID54953254
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
SMILESCC(NCCc1ccsc1)c1ccc(O)cc1
InChIInChI=1S/C14H17NOS/c1-11(13-2-4-14(16)5-3-13)15-8-6-12-7-9-17-10-12/h2-5,7,9-11,15-16H,6,8H2,1H3
InChIKeyKEWGYQKDZAHFBW-UHFFFAOYSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[1-(2-thiophen-3-ylethylamino)ethyl]aniline
CID 61474895
4-[3-(2-thiophen-3-ylethylamino)butyl]phenol
CID 61475292
1-(3-bromo-4-fluorophenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 54952781
4-[2-[1-(4-bromophenyl)ethylamino]ethyl]phenol
CID 61238708
4-[1-(2-aminoethylamino)ethyl]phenol
CID 60887563
(1R)-1-(2-methylphenyl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 81375407
2-[1-(2-thiophen-3-ylethylamino)ethyl]naphthalen-1-ol
CID 61474992
(2S)-3-methyl-2-(2-thiophen-3-ylethylamino)butan-1-ol
CID 79249026
1-(5-methylfuran-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474918
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
1-(3-bromothiophen-2-yl)-N-(2-thiophen-3-ylethyl)ethanamine
CID 61474936
4-[2-[1-(3,4-dichlorophenyl)ethylamino]ethyl]phenol
CID 61238201

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol?
The IUPAC name of 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol (CID 54953254) is 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol.
What is the SMILES notation for 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol?
The canonical SMILES for 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol is CC(NCCc1ccsc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol?
The InChIKey is KEWGYQKDZAHFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-11(13-2-4-14(16)5-3-13)15-8-6-12-7-9-17-10-12/h2-5,7,9-11,15-16H,6,8H2,1H3.
What are the key properties of 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol?
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol has a molecular weight of 247.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol is sourced from PubChem (CID 54953254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).