1-benzothiophen-2-yl-(2-chlorophenyl)methanamine

C15H12ClNS — CID 70818866

IUPAC1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
SMILESNC(c1cc2ccccc2s1)c1ccccc1Cl
InChIInChI=1S/C15H12ClNS/c16-12-7-3-2-6-11(12)15(17)14-9-10-5-1-4-8-13(10)18-14/h1-9,15H,17H2
InChIKeyXZOPJWMPBWMULZ-UHFFFAOYSA-N
MW273.79 g/mol
LogP4.60
Rot. Bonds2

About 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine

1-benzothiophen-2-yl-(2-chlorophenyl)methanamine (PubChem CID 70818866) has the molecular formula C15H12ClNS and a molecular weight of 273.79 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
PubChem CID70818866
Molecular FormulaC15H12ClNS
Molecular Weight273.79 g/mol
Exact Mass273.04
IUPAC Name1-benzothiophen-2-yl-(2-chlorophenyl)methanamine
SMILESNC(c1cc2ccccc2s1)c1ccccc1Cl
InChIInChI=1S/C15H12ClNS/c16-12-7-3-2-6-11(12)15(17)14-9-10-5-1-4-8-13(10)18-14/h1-9,15H,17H2
InChIKeyXZOPJWMPBWMULZ-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.79
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzothiophen-2-yl-(2,5-dichlorophenyl)methanamine
CID 61406696
1-benzothiophen-2-yl-(2,5-dichlorothiophen-3-yl)methanamine
CID 61406697
1-benzothiophen-2-yl-(3-bromo-5-chloro-2-methoxyphenyl)methanamine
CID 61407060
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
1-benzothiophen-2-yl-(4,5-dibromothiophen-2-yl)methanamine
CID 80532944
1-benzothiophen-2-yl-(4-methylphenyl)methanamine
CID 61406920
[1-benzothiophen-2-yl-(2,5-dichlorophenyl)methyl]hydrazine
CID 105302006
(2-chlorophenyl)-(5-methylthiophen-2-yl)methanamine
CID 43198024
2-[1-chloro-2-(2-chlorophenyl)ethyl]-1-benzothiophene
CID 63519147
1-benzothiophen-2-yl-(4-chloro-1-propylpyrazol-5-yl)methanamine
CID 105042604
N-[(R)-1-benzothiophen-2-yl-(2-chlorophenyl)methyl]cyclopropanesulfonamide
CID 127039286
1-(1-benzothiophen-2-yl)-1-(2-chloro-5-fluorophenyl)-N-methylmethanamine
CID 105396900

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine?
The IUPAC name of 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine (CID 70818866) is 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine.
What is the SMILES notation for 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine?
The canonical SMILES for 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine is NC(c1cc2ccccc2s1)c1ccccc1Cl.
What is the InChIKey of 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine?
The InChIKey is XZOPJWMPBWMULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNS/c16-12-7-3-2-6-11(12)15(17)14-9-10-5-1-4-8-13(10)18-14/h1-9,15H,17H2.
What are the key properties of 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine?
1-benzothiophen-2-yl-(2-chlorophenyl)methanamine has a molecular weight of 273.79 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-(2-chlorophenyl)methanamine is sourced from PubChem (CID 70818866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).