1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine

C16H14ClNS — CID 107102914

IUPAC1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1cccc2ccsc12
InChIInChI=1S/C16H14ClNS/c1-10-12(5-3-7-14(10)17)15(18)13-6-2-4-11-8-9-19-16(11)13/h2-9,15H,18H2,1H3
InChIKeyVDHYSOOZOIXESK-UHFFFAOYSA-N
MW287.81 g/mol
LogP4.91
Rot. Bonds2

About 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine

1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine (PubChem CID 107102914) has the molecular formula C16H14ClNS and a molecular weight of 287.81 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
PubChem CID107102914
Molecular FormulaC16H14ClNS
Molecular Weight287.81 g/mol
Exact Mass287.05
IUPAC Name1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
SMILESCc1c(Cl)cccc1C(N)c1cccc2ccsc12
InChIInChI=1S/C16H14ClNS/c1-10-12(5-3-7-14(10)17)15(18)13-6-2-4-11-8-9-19-16(11)13/h2-9,15H,18H2,1H3
InChIKeyVDHYSOOZOIXESK-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103781
1-benzothiophen-7-yl-(2-bromo-5-methylphenyl)methanamine
CID 105022123
1-benzothiophen-7-yl-(4-bromo-2-methylphenyl)methanamine
CID 105021831
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
1-benzothiophen-7-yl-(4-bromophenyl)methanamine
CID 81153674
1-benzothiophen-7-yl-(2,5-difluorophenyl)methanamine
CID 81154128
1-benzothiophen-3-yl(1-benzothiophen-7-yl)methanamine
CID 105021781
1-(1-benzothiophen-7-yl)-2,3-dimethylbutan-1-amine
CID 105022064
(3-chloro-2-methylphenyl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107096356
1-benzothiophen-7-yl(naphthalen-2-yl)methanamine
CID 81129802
1-benzothiophen-7-yl-(2,4-dimethoxyphenyl)methanamine
CID 105021986

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine (CID 107102914) is 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine is Cc1c(Cl)cccc1C(N)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine?
The InChIKey is VDHYSOOZOIXESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNS/c1-10-12(5-3-7-14(10)17)15(18)13-6-2-4-11-8-9-19-16(11)13/h2-9,15H,18H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine?
1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine has a molecular weight of 287.81 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine is sourced from PubChem (CID 107102914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).