5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine

C12H12ClNS — CID 67119709

IUPAC5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine
SMILESCNc1ccc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C12H12ClNS/c1-14-12-6-5-11(15-12)8-9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3
InChIKeyQPFJRUPANVQVCG-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.03
Rot. Bonds3

About 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine

5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine (PubChem CID 67119709) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine
PubChem CID67119709
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine
SMILESCNc1ccc(Cc2cccc(Cl)c2)s1
InChIInChI=1S/C12H12ClNS/c1-14-12-6-5-11(15-12)8-9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3
InChIKeyQPFJRUPANVQVCG-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine (CID 67119709) is 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine is CNc1ccc(Cc2cccc(Cl)c2)s1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine?
The InChIKey is QPFJRUPANVQVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-14-12-6-5-11(15-12)8-9-3-2-4-10(13)7-9/h2-7,14H,8H2,1H3.
What are the key properties of 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine?
5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine has a molecular weight of 237.76 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-N-methylthiophen-2-amine is sourced from PubChem (CID 67119709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).