2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol

C13H18ClNOS — CID 82690489

IUPAC2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol
SMILESOC(CNC1CCCc2sc(Cl)cc21)C1CC1
InChIInChI=1S/C13H18ClNOS/c14-13-6-9-10(2-1-3-12(9)17-13)15-7-11(16)8-4-5-8/h6,8,10-11,15-16H,1-5,7H2
InChIKeyQCTMZHGMUQJXRD-UHFFFAOYSA-N
MW271.81 g/mol
LogP3.14
Rot. Bonds4

About 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol

2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol (PubChem CID 82690489) has the molecular formula C13H18ClNOS and a molecular weight of 271.81 g/mol. Its IUPAC name is 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol.

Molecular Properties

Compound Name2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol
PubChem CID82690489
Molecular FormulaC13H18ClNOS
Molecular Weight271.81 g/mol
Exact Mass271.08
IUPAC Name2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol
SMILESOC(CNC1CCCc2sc(Cl)cc21)C1CC1
InChIInChI=1S/C13H18ClNOS/c14-13-6-9-10(2-1-3-12(9)17-13)15-7-11(16)8-4-5-8/h6,8,10-11,15-16H,1-5,7H2
InChIKeyQCTMZHGMUQJXRD-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol with MolForge

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Launch Full Analysis

Related Compounds

2-chloro-N-(2-methylsulfinylpropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 113484022
4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]butan-1-ol
CID 106840669
2-chloro-N-(2-methylprop-2-enyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114615539
2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]acetamide
CID 82686236
5-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-methylpentan-1-ol
CID 106157693
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]propanamide
CID 82686064
2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-N-methylacetamide
CID 82686960
(2R)-2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]butan-1-ol
CID 104868746
N-(2,2-dicyclopropylethyl)-2-iodo-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690213
3-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-methylpropane-1,2-diol
CID 82689789
2-chloro-N-(cyclohex-3-en-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82689681
1-N-(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82687038

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol?
The IUPAC name of 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol (CID 82690489) is 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol.
What is the SMILES notation for 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol?
The canonical SMILES for 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol is OC(CNC1CCCc2sc(Cl)cc21)C1CC1.
What is the InChIKey of 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol?
The InChIKey is QCTMZHGMUQJXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNOS/c14-13-6-9-10(2-1-3-12(9)17-13)15-7-11(16)8-4-5-8/h6,8,10-11,15-16H,1-5,7H2.
What are the key properties of 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol?
2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol has a molecular weight of 271.81 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-cyclopropylethanol is sourced from PubChem (CID 82690489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).