1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine

C11H12ClNS — CID 82662571

IUPAC1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H12ClNS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5-7H,4,13H2,1H3
InChIKeyAQXUBBSOJARLOP-UHFFFAOYSA-N
MW225.74 g/mol
LogP3.44
Rot. Bonds2

About 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine

1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine (PubChem CID 82662571) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine
PubChem CID82662571
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine
SMILESCC(N)Cc1cc2cc(Cl)ccc2s1
InChIInChI=1S/C11H12ClNS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5-7H,4,13H2,1H3
InChIKeyAQXUBBSOJARLOP-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-benzothiophen-2-yl)methanol
CID 23340421
5-chloro-2-(2,2-dimethylpropyl)-1-benzothiophene
CID 58689208
2-(5-chloro-1-benzothiophen-2-yl)acetonitrile
CID 15155567
2-(5-chloro-1-benzothiophen-2-yl)acetyl chloride
CID 119092270
5-methyl-2-(2-methylpropyl)-1-benzothiophene
CID 70881038
5-chloro-2-methyl-1-benzothiophene
CID 2747689
5-chloro-2-methyl-1-benzothiophene;ethane;propane
CID 142538359
N-[(5-chloro-1-benzothiophen-2-yl)methyl]cyclopropanamine
CID 117176302
1-(1-benzothiophen-2-yl)propan-2-ylhydrazine
CID 119083055
5-(bromomethyl)-2-(2-methylpropyl)-1-benzothiophene
CID 174901770
1-(5-chloro-1-methylindol-2-yl)propan-2-amine
CID 82662230
1-(4-chlorophenyl)propan-2-amine
CID 3127

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine?
The IUPAC name of 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine (CID 82662571) is 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine is CC(N)Cc1cc2cc(Cl)ccc2s1.
What is the InChIKey of 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine?
The InChIKey is AQXUBBSOJARLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS/c1-7(13)4-10-6-8-5-9(12)2-3-11(8)14-10/h2-3,5-7H,4,13H2,1H3.
What are the key properties of 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine?
1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine has a molecular weight of 225.74 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzothiophen-2-yl)propan-2-amine is sourced from PubChem (CID 82662571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).