2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine

C16H14ClNS — CID 15700633

IUPAC2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
SMILESCN(C)c1c(-c2ccc(Cl)cc2)sc2ccccc12
InChIInChI=1S/C16H14ClNS/c1-18(2)15-13-5-3-4-6-14(13)19-16(15)11-7-9-12(17)10-8-11/h3-10H,1-2H3
InChIKeyDPJXNZLCIYQLAL-UHFFFAOYSA-N
MW287.82 g/mol
LogP5.29
Rot. Bonds2

About 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine

2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine (PubChem CID 15700633) has the molecular formula C16H14ClNS and a molecular weight of 287.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
PubChem CID15700633
Molecular FormulaC16H14ClNS
Molecular Weight287.82 g/mol
Exact Mass287.05
IUPAC Name2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine
SMILESCN(C)c1c(-c2ccc(Cl)cc2)sc2ccccc12
InChIInChI=1S/C16H14ClNS/c1-18(2)15-13-5-3-4-6-14(13)19-16(15)11-7-9-12(17)10-8-11/h3-10H,1-2H3
InChIKeyDPJXNZLCIYQLAL-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.82
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine (CID 15700633) is 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine is CN(C)c1c(-c2ccc(Cl)cc2)sc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine?
The InChIKey is DPJXNZLCIYQLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNS/c1-18(2)15-13-5-3-4-6-14(13)19-16(15)11-7-9-12(17)10-8-11/h3-10H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine?
2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine has a molecular weight of 287.82 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N,N-dimethyl-1-benzothiophen-3-amine is sourced from PubChem (CID 15700633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).