2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine

C14H15Cl2NS — CID 106867685

IUPAC2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(CC(N)c2scc(C)c2Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NS/c1-8-3-4-10(11(15)5-8)6-12(17)14-13(16)9(2)7-18-14/h3-5,7,12H,6,17H2,1-2H3
InChIKeyMLABOXOGJDJRGX-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.91
Rot. Bonds3

About 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine (PubChem CID 106867685) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
PubChem CID106867685
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
SMILESCc1ccc(CC(N)c2scc(C)c2Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2NS/c1-8-3-4-10(11(15)5-8)6-12(17)14-13(16)9(2)7-18-14/h3-5,7,12H,6,17H2,1-2H3
InChIKeyMLABOXOGJDJRGX-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103407295
1-(3-chloro-4-methylthiophen-2-yl)-2-(3-methylphenyl)ethanamine
CID 103402392
2-(5-bromo-2-fluorophenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine
CID 103405565
1-(2-chloro-3-methylphenyl)-2-(2-chloro-4-methylphenyl)ethanamine
CID 106866364
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
1-(3-chloro-4-methylthiophen-2-yl)-2-naphthalen-2-ylethanamine
CID 103402254
1-(2-chloro-4-methylphenyl)-3,4-dimethylpentan-2-amine
CID 106866564
5-(2-chloro-4-methylphenyl)-4-methylpentan-2-amine
CID 106870188
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
2-(2-chloro-4-methylphenyl)-1-(2,4-difluoro-5-methylphenyl)ethanamine
CID 106866648
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 106866965

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine (CID 106867685) is 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine is Cc1ccc(CC(N)c2scc(C)c2Cl)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine?
The InChIKey is MLABOXOGJDJRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NS/c1-8-3-4-10(11(15)5-8)6-12(17)14-13(16)9(2)7-18-14/h3-5,7,12H,6,17H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine has a molecular weight of 300.25 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 106867685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).