2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline

C12H12ClNS — CID 102765129

IUPAC2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline
SMILESCc1ccc(-c2cc(C)c(Cl)s2)c(N)c1
InChIInChI=1S/C12H12ClNS/c1-7-3-4-9(10(14)5-7)11-6-8(2)12(13)15-11/h3-6H,14H2,1-2H3
InChIKeyUOWWSHHPIKLCPJ-UHFFFAOYSA-N
MW237.76 g/mol
LogP4.27
Rot. Bonds1

About 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline

2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline (PubChem CID 102765129) has the molecular formula C12H12ClNS and a molecular weight of 237.76 g/mol. Its IUPAC name is 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline.

Molecular Properties

Compound Name2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline
PubChem CID102765129
Molecular FormulaC12H12ClNS
Molecular Weight237.76 g/mol
Exact Mass237.04
IUPAC Name2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline
SMILESCc1ccc(-c2cc(C)c(Cl)s2)c(N)c1
InChIInChI=1S/C12H12ClNS/c1-7-3-4-9(10(14)5-7)11-6-8(2)12(13)15-11/h3-6H,14H2,1-2H3
InChIKeyUOWWSHHPIKLCPJ-UHFFFAOYSA-N
XLogP4.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.76
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-(5-chloro-4-methylthiophen-2-yl)aniline
CID 102765150
4-chloro-3-(5-chloro-4-methylthiophen-2-yl)aniline
CID 102765157
4-(5-chloro-4-methylthiophen-2-yl)-2-methylaniline
CID 102765141
8-(5-chloro-4-methylthiophen-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 102765132
2-(2-chloro-3-methylphenyl)-5-methylaniline
CID 171393531
5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine
CID 102765138
2-(4-chloronaphthalen-1-yl)-5-methylaniline
CID 82766855
ethane;2-(3-fluoro-4-methylphenyl)-5-methylaniline
CID 144852270
5-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 61025121
3,5-bis(2,4-dimethylphenyl)-2-(4-methylphenyl)thiophene
CID 59167085
5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
2-chloro-5-[chloro-(2-chloro-4-methylphenyl)methyl]-3-methylthiophene
CID 106863306

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline?
The IUPAC name of 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline (CID 102765129) is 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline.
What is the SMILES notation for 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline?
The canonical SMILES for 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline is Cc1ccc(-c2cc(C)c(Cl)s2)c(N)c1.
What is the InChIKey of 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline?
The InChIKey is UOWWSHHPIKLCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-7-3-4-9(10(14)5-7)11-6-8(2)12(13)15-11/h3-6H,14H2,1-2H3.
What are the key properties of 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline?
2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline has a molecular weight of 237.76 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methylthiophen-2-yl)-5-methylaniline is sourced from PubChem (CID 102765129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).