2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol

C15H19NOS — CID 63182371

IUPAC2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
SMILESCCC(NC(CO)c1ccccc1)c1cccs1
InChIInChI=1S/C15H19NOS/c1-2-13(15-9-6-10-18-15)16-14(11-17)12-7-4-3-5-8-12/h3-10,13-14,16-17H,2,11H2,1H3
InChIKeyREHYKDDYMKSMAH-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.52
Rot. Bonds6

About 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol

2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol (PubChem CID 63182371) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol.

Molecular Properties

Compound Name2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
PubChem CID63182371
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
SMILESCCC(NC(CO)c1ccccc1)c1cccs1
InChIInChI=1S/C15H19NOS/c1-2-13(15-9-6-10-18-15)16-14(11-17)12-7-4-3-5-8-12/h3-10,13-14,16-17H,2,11H2,1H3
InChIKeyREHYKDDYMKSMAH-UHFFFAOYSA-N
XLogP3.52
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
CID 11044071
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241
(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
CID 107862229
1-(2-fluorophenyl)-N-(1-thiophen-2-ylpropyl)propan-1-amine
CID 112632384
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
3-methyl-1-phenyl-N-(1-thiophen-2-ylbutyl)butan-1-amine
CID 63454459
(2R)-2-[[(1S)-1-phenylpropyl]amino]butan-1-ol
CID 28723478
(2R)-2-[1-(2-methoxyphenyl)propylamino]-2-phenylethanol
CID 103788814

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol?
The IUPAC name of 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol (CID 63182371) is 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol.
What is the SMILES notation for 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol?
The canonical SMILES for 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol is CCC(NC(CO)c1ccccc1)c1cccs1.
What is the InChIKey of 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol?
The InChIKey is REHYKDDYMKSMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-2-13(15-9-6-10-18-15)16-14(11-17)12-7-4-3-5-8-12/h3-10,13-14,16-17H,2,11H2,1H3.
What are the key properties of 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol?
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol has a molecular weight of 261.39 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol is sourced from PubChem (CID 63182371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).