6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine

C16H14ClNS — CID 16639872

IUPAC6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine
SMILESCN(C)c1c(-c2ccccc2)sc2cc(Cl)ccc12
InChIInChI=1S/C16H14ClNS/c1-18(2)15-13-9-8-12(17)10-14(13)19-16(15)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyGOXNAQQJHBXKAO-UHFFFAOYSA-N
MW287.81 g/mol
LogP5.29
Rot. Bonds2

About 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine

6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine (PubChem CID 16639872) has the molecular formula C16H14ClNS and a molecular weight of 287.81 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine
PubChem CID16639872
Molecular FormulaC16H14ClNS
Molecular Weight287.81 g/mol
Exact Mass287.05
IUPAC Name6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine
SMILESCN(C)c1c(-c2ccccc2)sc2cc(Cl)ccc12
InChIInChI=1S/C16H14ClNS/c1-18(2)15-13-9-8-12(17)10-14(13)19-16(15)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyGOXNAQQJHBXKAO-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 ≤ 500287.81
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine (CID 16639872) is 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine is CN(C)c1c(-c2ccccc2)sc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine?
The InChIKey is GOXNAQQJHBXKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNS/c1-18(2)15-13-9-8-12(17)10-14(13)19-16(15)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine?
6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine has a molecular weight of 287.81 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 6-chloro-N,N-dimethyl-2-phenyl-1-benzothiophen-3-amine is sourced from PubChem (CID 16639872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).