(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine

C13H13Cl2NS — CID 102763420

IUPAC(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2cc(C)c(Cl)s2)c1
InChIInChI=1S/C13H13Cl2NS/c1-7-3-9(6-10(14)4-7)12(16)11-5-8(2)13(15)17-11/h3-6,12H,16H2,1-2H3
InChIKeyYKEYEPWBIAQZAN-UHFFFAOYSA-N
MW286.23 g/mol
LogP4.72
Rot. Bonds2

About (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine

(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine (PubChem CID 102763420) has the molecular formula C13H13Cl2NS and a molecular weight of 286.23 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
PubChem CID102763420
Molecular FormulaC13H13Cl2NS
Molecular Weight286.23 g/mol
Exact Mass285.01
IUPAC Name(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(Cl)cc(C(N)c2cc(C)c(Cl)s2)c1
InChIInChI=1S/C13H13Cl2NS/c1-7-3-9(6-10(14)4-7)12(16)11-5-8(2)13(15)17-11/h3-6,12H,16H2,1-2H3
InChIKeyYKEYEPWBIAQZAN-UHFFFAOYSA-N
XLogP4.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
CID 114023515
1-(3-chloro-5-methylphenyl)-1-(5-chloro-4-methylthiophen-2-yl)-N-methylmethanamine
CID 102763666
(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
CID 102763514
(3,5-dimethylphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 115797230
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(3-chloro-5-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 81323717
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
CID 102763371
(3-chloro-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877482
1-(3-chloro-5-methylphenyl)prop-2-yn-1-amine
CID 104995945
(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 102763507
(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
CID 102763414

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine?
The IUPAC name of (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine (CID 102763420) is (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine?
The canonical SMILES for (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine is Cc1cc(Cl)cc(C(N)c2cc(C)c(Cl)s2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine?
The InChIKey is YKEYEPWBIAQZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NS/c1-7-3-9(6-10(14)4-7)12(16)11-5-8(2)13(15)17-11/h3-6,12H,16H2,1-2H3.
What are the key properties of (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine?
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine has a molecular weight of 286.23 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 102763420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).