(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine

C16H18ClNS — CID 115483792

IUPAC(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C16H18ClNS/c1-10-8-14(15(17)9-11(10)2)16(18)12-4-6-13(19-3)7-5-12/h4-9,16H,18H2,1-3H3
InChIKeyCLUUBVFWGPLCGJ-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.73
Rot. Bonds3

About (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine

(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 115483792) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
PubChem CID115483792
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2cc(C)c(C)cc2Cl)cc1
InChIInChI=1S/C16H18ClNS/c1-10-8-14(15(17)9-11(10)2)16(18)12-4-6-13(19-3)7-5-12/h4-9,16H,18H2,1-3H3
InChIKeyCLUUBVFWGPLCGJ-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522
5-[amino-(4-methylsulfanylphenyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 79212497
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103302099
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79215718
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-3-fluorophenyl)methanamine
CID 107998851
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine (CID 115483792) is (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)c2cc(C)c(C)cc2Cl)cc1.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is CLUUBVFWGPLCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-10-8-14(15(17)9-11(10)2)16(18)12-4-6-13(19-3)7-5-12/h4-9,16H,18H2,1-3H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine?
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 291.85 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115483792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).