3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine

C13H14ClNS — CID 82366162

IUPAC3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine
SMILESCc1ccc(Cl)cc1-c1c(N)sc(C)c1C
InChIInChI=1S/C13H14ClNS/c1-7-4-5-10(14)6-11(7)12-8(2)9(3)16-13(12)15/h4-6H,15H2,1-3H3
InChIKeyQHRRTMIZDFUTTQ-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.58
Rot. Bonds1

About 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine

3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine (PubChem CID 82366162) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine
PubChem CID82366162
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine
SMILESCc1ccc(Cl)cc1-c1c(N)sc(C)c1C
InChIInChI=1S/C13H14ClNS/c1-7-4-5-10(14)6-11(7)12-8(2)9(3)16-13(12)15/h4-6H,15H2,1-3H3
InChIKeyQHRRTMIZDFUTTQ-UHFFFAOYSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-4,5-dimethylthiophen-2-amine
CID 82366103
1-chloro-2-(5-chloro-2-methylphenyl)-3-methylbenzene
CID 66252384
3-(5-chloro-1-propan-2-ylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60785666
3-(5-chloro-2-methylphenyl)-2,6-difluoroaniline
CID 165449932
5-(5-chloro-2-methylphenyl)-4-methyl-1,2-oxazol-3-amine
CID 82890379
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
3-amino-5-(5-chloro-2-methylphenyl)-4-thiophen-2-ylthiophene-2-carbonitrile
CID 82875189
4,5-dimethyl-3-naphthalen-2-ylthiophen-2-amine
CID 82366106
3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43329946
5-chloro-2-(2,6-difluoro-3-methylphenyl)aniline
CID 82821994
4-(5-chloro-2-methylphenyl)benzenesulfinamide;hydrate
CID 159393364
4-(4-bromophenyl)-5-(5-chloro-2-methylphenyl)-1,2-oxazol-3-amine
CID 82879782

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine?
The IUPAC name of 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine (CID 82366162) is 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine.
What is the SMILES notation for 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine?
The canonical SMILES for 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine is Cc1ccc(Cl)cc1-c1c(N)sc(C)c1C.
What is the InChIKey of 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine?
The InChIKey is QHRRTMIZDFUTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-7-4-5-10(14)6-11(7)12-8(2)9(3)16-13(12)15/h4-6H,15H2,1-3H3.
What are the key properties of 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine?
3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine has a molecular weight of 251.78 g/mol, XLogP of 4.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylphenyl)-4,5-dimethylthiophen-2-amine is sourced from PubChem (CID 82366162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).