3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine

C11H12ClNS — CID 117119291

IUPAC3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
SMILESNCCCc1csc2cccc(Cl)c12
InChIInChI=1S/C11H12ClNS/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1,4-5,7H,2-3,6,13H2
InChIKeyDONCGFNXPIZLCB-UHFFFAOYSA-N
MW225.74 g/mol
LogP3.45
Rot. Bonds3

About 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine

3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine (PubChem CID 117119291) has the molecular formula C11H12ClNS and a molecular weight of 225.74 g/mol. Its IUPAC name is 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
PubChem CID117119291
Molecular FormulaC11H12ClNS
Molecular Weight225.74 g/mol
Exact Mass225.04
IUPAC Name3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine
SMILESNCCCc1csc2cccc(Cl)c12
InChIInChI=1S/C11H12ClNS/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1,4-5,7H,2-3,6,13H2
InChIKeyDONCGFNXPIZLCB-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-1-benzothiophen-3-yl)propan-1-amine
CID 117119292
4-chloro-3-(ethoxymethyl)-1-benzothiophene
CID 117170982
3-(3-chloro-2-fluorophenyl)propan-1-amine
CID 53434310
2-chloro-N-[(4-chloro-1-benzothiophen-3-yl)methyl]acetamide
CID 166432160
3-[(4-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117170950
3-(4-chloro-1-ethylindol-3-yl)propan-1-amine
CID 117119707
2-(4-aminobutyl)-6-chloroaniline
CID 105451896
4-(3-chloro-2-methylphenyl)butan-1-amine
CID 82282104
3-(4-bromo-1-benzothiophen-3-yl)-N-methylpropan-1-amine
CID 117194851
3-(4-chlorobutyl)-1-benzothiophene
CID 64513988
[4-(aminomethyl)-1-benzothiophen-3-yl]methanol
CID 117170804
2-(4-chloro-1-benzothiophen-3-yl)propan-1-ol
CID 117119273

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine?
The IUPAC name of 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine (CID 117119291) is 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine?
The canonical SMILES for 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine is NCCCc1csc2cccc(Cl)c12.
What is the InChIKey of 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine?
The InChIKey is DONCGFNXPIZLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNS/c12-9-4-1-5-10-11(9)8(7-14-10)3-2-6-13/h1,4-5,7H,2-3,6,13H2.
What are the key properties of 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine?
3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine has a molecular weight of 225.74 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-benzothiophen-3-yl)propan-1-amine is sourced from PubChem (CID 117119291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).