[3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol

C16H15NOS — CID 121268522

IUPAC[3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol
SMILESCc1cccc(N)c1-c1csc2ccc(CO)cc12
InChIInChI=1S/C16H15NOS/c1-10-3-2-4-14(17)16(10)13-9-19-15-6-5-11(8-18)7-12(13)15/h2-7,9,18H,8,17H2,1H3
InChIKeyDSVRKLMBRHYSAE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.95
Rot. Bonds2

About [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol

[3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol (PubChem CID 121268522) has the molecular formula C16H15NOS and a molecular weight of 269.37 g/mol. Its IUPAC name is [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol.

Molecular Properties

Compound Name[3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol
PubChem CID121268522
Molecular FormulaC16H15NOS
Molecular Weight269.37 g/mol
Exact Mass269.09
IUPAC Name[3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol
SMILESCc1cccc(N)c1-c1csc2ccc(CO)cc12
InChIInChI=1S/C16H15NOS/c1-10-3-2-4-14(17)16(10)13-9-19-15-6-5-11(8-18)7-12(13)15/h2-7,9,18H,8,17H2,1H3
InChIKeyDSVRKLMBRHYSAE-UHFFFAOYSA-N
XLogP3.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol?
The IUPAC name of [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol (CID 121268522) is [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol.
What is the SMILES notation for [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol?
The canonical SMILES for [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol is Cc1cccc(N)c1-c1csc2ccc(CO)cc12.
What is the InChIKey of [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol?
The InChIKey is DSVRKLMBRHYSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS/c1-10-3-2-4-14(17)16(10)13-9-19-15-6-5-11(8-18)7-12(13)15/h2-7,9,18H,8,17H2,1H3.
What are the key properties of [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol?
[3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol has a molecular weight of 269.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-amino-6-methylphenyl)-1-benzothiophen-5-yl]methanol is sourced from PubChem (CID 121268522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).