4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine

C12H12ClNS — CID 98771509

IUPAC4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine
SMILESCc1sc(N)cc1Cc1ccccc1Cl
InChIInChI=1S/C12H12ClNS/c1-8-10(7-12(14)15-8)6-9-4-2-3-5-11(9)13/h2-5,7H,6,14H2,1H3
InChIKeyQFJSNKCSKWOVGF-UHFFFAOYSA-N
MW237.76 g/mol
LogP3.88
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine

4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine (PubChem CID 98771509) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine
PubChem CID98771509
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine
SMILESCc1sc(N)cc1Cc1ccccc1Cl
InChIInChI=1S/C12H12ClNS/c1-8-10(7-12(14)15-8)6-9-4-2-3-5-11(9)13/h2-5,7H,6,14H2,1H3
InChIKeyQFJSNKCSKWOVGF-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(2-chlorophenyl)methyl]-1-methylbenzene
CID 90782927
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
2-amino-3-[(2-chlorophenyl)methyl]phenol
CID 105493756
1-[(2-chlorophenyl)methyl]-2-fluoro-3-methylbenzene
CID 130411639
2-[(2-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 175803772
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727440
7-[(2-chlorophenyl)methyl]-3-methyl-1-benzothiophene
CID 23543580
5-[(2-chlorophenyl)methyl]-3H-1,3-thiazole-2-thione
CID 28811345
1-(2-chlorophenyl)-N-[(2,5-dimethylthiophen-3-yl)methyl]propan-2-amine
CID 63428003
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
4-tert-butyl-5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 141228989

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine (CID 98771509) is 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine is Cc1sc(N)cc1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine?
The InChIKey is QFJSNKCSKWOVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-8-10(7-12(14)15-8)6-9-4-2-3-5-11(9)13/h2-5,7H,6,14H2,1H3.
What are the key properties of 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine?
4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine has a molecular weight of 237.76 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-5-methylthiophen-2-amine is sourced from PubChem (CID 98771509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).