2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol

C14H23NOS — CID 64614387

IUPAC2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol
SMILESCC(C)Cc1ccc(C(N)CSCCO)cc1
InChIInChI=1S/C14H23NOS/c1-11(2)9-12-3-5-13(6-4-12)14(15)10-17-8-7-16/h3-6,11,14,16H,7-10,15H2,1-2H3
InChIKeyGINZBZFNLJKMQT-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.61
Rot. Bonds7

About 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol

2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol (PubChem CID 64614387) has the molecular formula C14H23NOS and a molecular weight of 253.41 g/mol. Its IUPAC name is 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol.

Molecular Properties

Compound Name2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol
PubChem CID64614387
Molecular FormulaC14H23NOS
Molecular Weight253.41 g/mol
Exact Mass253.15
IUPAC Name2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol
SMILESCC(C)Cc1ccc(C(N)CSCCO)cc1
InChIInChI=1S/C14H23NOS/c1-11(2)9-12-3-5-13(6-4-12)14(15)10-17-8-7-16/h3-6,11,14,16H,7-10,15H2,1-2H3
InChIKeyGINZBZFNLJKMQT-UHFFFAOYSA-N
XLogP2.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol 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-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
CID 64612734
2-(cyclopentylmethylsulfanyl)-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 64625982
1-[4-(2-methylpropyl)phenyl]-3-methylsulfanylpropan-1-amine
CID 116831500
1-[4-(2-methylpropyl)phenyl]-2-(oxolan-2-ylmethylsulfanyl)ethanamine
CID 106496760
(3R)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoic acid
CID 940967
2-methoxy-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 16786344
1-[4-(2-methylpropyl)phenyl]-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64626293
N'-methyl-N'-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 43272065
2-(3-methylbutylsulfanyl)-1-phenylethanamine
CID 107754777
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
(2S)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130806036
2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64611096

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol?
The IUPAC name of 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol (CID 64614387) is 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol.
What is the SMILES notation for 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol?
The canonical SMILES for 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol is CC(C)Cc1ccc(C(N)CSCCO)cc1.
What is the InChIKey of 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol?
The InChIKey is GINZBZFNLJKMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NOS/c1-11(2)9-12-3-5-13(6-4-12)14(15)10-17-8-7-16/h3-6,11,14,16H,7-10,15H2,1-2H3.
What are the key properties of 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol?
2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol has a molecular weight of 253.41 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-[4-(2-methylpropyl)phenyl]ethyl]sulfanylethanol is sourced from PubChem (CID 64614387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).