2-chloro-4-methyl-5-phenylthiophen-3-amine

C11H10ClNS — CID 114749336

IUPAC2-chloro-4-methyl-5-phenylthiophen-3-amine
SMILESCc1c(-c2ccccc2)sc(Cl)c1N
InChIInChI=1S/C11H10ClNS/c1-7-9(13)11(12)14-10(7)8-5-3-2-4-6-8/h2-6H,13H2,1H3
InChIKeyFFTXVHUWRUJFMA-UHFFFAOYSA-N
MW223.73 g/mol
LogP3.96
Rot. Bonds1

About 2-chloro-4-methyl-5-phenylthiophen-3-amine

2-chloro-4-methyl-5-phenylthiophen-3-amine (PubChem CID 114749336) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 2-chloro-4-methyl-5-phenylthiophen-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-5-phenylthiophen-3-amine
PubChem CID114749336
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name2-chloro-4-methyl-5-phenylthiophen-3-amine
SMILESCc1c(-c2ccccc2)sc(Cl)c1N
InChIInChI=1S/C11H10ClNS/c1-7-9(13)11(12)14-10(7)8-5-3-2-4-6-8/h2-6H,13H2,1H3
InChIKeyFFTXVHUWRUJFMA-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis[4-(3,4-dimethyl-5-phenylthiophen-2-yl)phenyl]-3,4-dimethylthiophene
CID 59718202
4-chloro-3-methyl-2-(4-methylphenyl)-5-phenylthiophene
CID 86098596
4-chloro-2-(4-chlorophenyl)-3-methyl-5-phenylthiophene
CID 86098601
3-bromo-4-methyl-2,5-diphenylthiophene
CID 89479588
2-chloro-4,5-dimethylthiophen-3-amine
CID 114749344
2-fluoro-4-methyl-5-phenylthiophen-3-ol
CID 70965990
[2-chloro-5-(4-methoxyphenyl)-4-methylthiophen-3-yl]methanamine
CID 114748563
4-methyl-2,5-bis[4-(trifluoromethyl)phenyl]thiophen-3-amine
CID 134841274
2,3-dimethyl-4,6-diphenylaniline
CID 139240980
4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)aniline
CID 58200398
4-(4-chlorophenyl)-5-phenyl-1,3-thiazol-2-amine
CID 2806452
5-phenyl-1,3-thiazole-2,4-diamine
CID 10275

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-5-phenylthiophen-3-amine?
The IUPAC name of 2-chloro-4-methyl-5-phenylthiophen-3-amine (CID 114749336) is 2-chloro-4-methyl-5-phenylthiophen-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-5-phenylthiophen-3-amine?
The canonical SMILES for 2-chloro-4-methyl-5-phenylthiophen-3-amine is Cc1c(-c2ccccc2)sc(Cl)c1N.
What is the InChIKey of 2-chloro-4-methyl-5-phenylthiophen-3-amine?
The InChIKey is FFTXVHUWRUJFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c1-7-9(13)11(12)14-10(7)8-5-3-2-4-6-8/h2-6H,13H2,1H3.
What are the key properties of 2-chloro-4-methyl-5-phenylthiophen-3-amine?
2-chloro-4-methyl-5-phenylthiophen-3-amine has a molecular weight of 223.73 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-5-phenylthiophen-3-amine is sourced from PubChem (CID 114749336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).