4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine

C13H14ClNOS — CID 82487480

IUPAC4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine
SMILESCOc1cc(C)c(-c2cc(N)sc2C)cc1Cl
InChIInChI=1S/C13H14ClNOS/c1-7-4-12(16-3)11(14)5-9(7)10-6-13(15)17-8(10)2/h4-6H,15H2,1-3H3
InChIKeySLMPURHXSQLZAV-UHFFFAOYSA-N
MW267.78 g/mol
LogP4.28
Rot. Bonds2

About 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine

4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine (PubChem CID 82487480) has the molecular formula C13H14ClNOS and a molecular weight of 267.78 g/mol. Its IUPAC name is 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine.

Molecular Properties

Compound Name4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine
PubChem CID82487480
Molecular FormulaC13H14ClNOS
Molecular Weight267.78 g/mol
Exact Mass267.05
IUPAC Name4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine
SMILESCOc1cc(C)c(-c2cc(N)sc2C)cc1Cl
InChIInChI=1S/C13H14ClNOS/c1-7-4-12(16-3)11(14)5-9(7)10-6-13(15)17-8(10)2/h4-6H,15H2,1-3H3
InChIKeySLMPURHXSQLZAV-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.78
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxy-4-methylphenyl)-5-methylthiophen-2-amine
CID 82487478
2-chloro-4-(2,5-dimethylthiophen-3-yl)-5-methylaniline
CID 104668338
4-(5-chloro-4-methoxy-2-methylphenyl)imidazole-1,2-diamine
CID 82298326
2-chloro-5-(5-chloro-4-methoxy-2-methylphenyl)-1H-imidazole
CID 116884397
5-(5-chloro-4-methoxy-2-methylphenyl)-2-methoxy-1H-imidazole
CID 116883699
1-chloro-5-iodo-2-methoxy-4-methylbenzene
CID 70931532
(5-chloro-4-methoxy-2-methylphenyl)methanamine
CID 82281020
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
CID 82303503
4-(5-chloro-4-methoxy-2-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832501
5-(2,5-dichloro-4-methoxyphenyl)-2,4-dimethylbenzoic acid
CID 107515861
2-amino-1-(5-chloro-4-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 116836078
5-chloro-4-methoxy-2-methylbenzenecarbothioamide
CID 82492980

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine?
The IUPAC name of 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine (CID 82487480) is 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine.
What is the SMILES notation for 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine?
The canonical SMILES for 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine is COc1cc(C)c(-c2cc(N)sc2C)cc1Cl.
What is the InChIKey of 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine?
The InChIKey is SLMPURHXSQLZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNOS/c1-7-4-12(16-3)11(14)5-9(7)10-6-13(15)17-8(10)2/h4-6H,15H2,1-3H3.
What are the key properties of 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine?
4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine has a molecular weight of 267.78 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-4-methoxy-2-methylphenyl)-5-methylthiophen-2-amine is sourced from PubChem (CID 82487480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).