1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine

C16H13Cl2NS — CID 105021929

IUPAC1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1cccc2ccsc12
InChIInChI=1S/C16H13Cl2NS/c1-19-15(11-5-3-7-13(17)14(11)18)12-6-2-4-10-8-9-20-16(10)12/h2-9,15,19H,1H3
InChIKeyKWWKLWMJLGIAME-UHFFFAOYSA-N
MW322.26 g/mol
LogP5.52
Rot. Bonds3

About 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine

1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine (PubChem CID 105021929) has the molecular formula C16H13Cl2NS and a molecular weight of 322.26 g/mol. Its IUPAC name is 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
PubChem CID105021929
Molecular FormulaC16H13Cl2NS
Molecular Weight322.26 g/mol
Exact Mass321.01
IUPAC Name1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1Cl)c1cccc2ccsc12
InChIInChI=1S/C16H13Cl2NS/c1-19-15(11-5-3-7-13(17)14(11)18)12-6-2-4-10-8-9-20-16(10)12/h2-9,15,19H,1H3
InChIKeyKWWKLWMJLGIAME-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.26
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 105021870
[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103781
1-(1-benzothiophen-7-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 81152982
1-(1-benzothiophen-7-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 81154346
1-(1-benzothiophen-7-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 105021764
1-(1-benzothiophen-7-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105021830
1-(1-benzothiophen-7-yl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107968843
[1-benzothiophen-7-yl-(3-bromo-2-chlorophenyl)methyl]hydrazine
CID 105327736
1-(1-benzothiophen-7-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 81153387
1-(2-bromophenyl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 63417166
1-(1-benzothiophen-7-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 105021845
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine (CID 105021929) is 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine is CNC(c1cccc(Cl)c1Cl)c1cccc2ccsc12.
What is the InChIKey of 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
The InChIKey is KWWKLWMJLGIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NS/c1-19-15(11-5-3-7-13(17)14(11)18)12-6-2-4-10-8-9-20-16(10)12/h2-9,15,19H,1H3.
What are the key properties of 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine?
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine has a molecular weight of 322.26 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 105021929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).