(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol

C18H23NOS — CID 107862229

IUPAC(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
SMILESOC[C@@H](NC(c1cccs1)C1CCCC1)c1ccccc1
InChIInChI=1S/C18H23NOS/c20-13-16(14-7-2-1-3-8-14)19-18(15-9-4-5-10-15)17-11-6-12-21-17/h1-3,6-8,11-12,15-16,18-20H,4-5,9-10,13H2/t16-,18?/m1/s1
InChIKeyZYHQQGYDFALBOV-PYUWXLGESA-N
MW301.45 g/mol
LogP4.30
Rot. Bonds6

About (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol

(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol (PubChem CID 107862229) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
PubChem CID107862229
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol
SMILESOC[C@@H](NC(c1cccs1)C1CCCC1)c1ccccc1
InChIInChI=1S/C18H23NOS/c20-13-16(14-7-2-1-3-8-14)19-18(15-9-4-5-10-15)17-11-6-12-21-17/h1-3,6-8,11-12,15-16,18-20H,4-5,9-10,13H2/t16-,18?/m1/s1
InChIKeyZYHQQGYDFALBOV-PYUWXLGESA-N
XLogP4.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43740511
(2R)-2-phenyl-2-(1-thiophen-2-ylethylamino)ethanol
CID 103788696
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
2-phenyl-2-(1-thiophen-2-ylpropylamino)ethanol
CID 63182371
N-[cyclopropyl(phenyl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 43724241
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
CID 11044071
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[cyclopropyl(thiophen-2-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 54983030
(2S)-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2-phenylethanol
CID 107862205
N-[cyclopentyl(thiophen-2-yl)methyl]cyclopropanamine
CID 43754683
N-[cyclopropyl(thiophen-2-yl)methyl]propan-2-amine
CID 60713978
3-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-hydroxypropanamide
CID 114153572

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol (CID 107862229) is (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol is OC[C@@H](NC(c1cccs1)C1CCCC1)c1ccccc1.
What is the InChIKey of (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol?
The InChIKey is ZYHQQGYDFALBOV-PYUWXLGESA-N. The full InChI is InChI=1S/C18H23NOS/c20-13-16(14-7-2-1-3-8-14)19-18(15-9-4-5-10-15)17-11-6-12-21-17/h1-3,6-8,11-12,15-16,18-20H,4-5,9-10,13H2/t16-,18?/m1/s1.
What are the key properties of (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol?
(2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol has a molecular weight of 301.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-phenylethanol is sourced from PubChem (CID 107862229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).