(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine

C13H12ClF2NOS — CID 102763534

IUPAC(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESCc1cc(C(N)c2ccc(OC(F)F)cc2)sc1Cl
InChIInChI=1S/C13H12ClF2NOS/c1-7-6-10(19-12(7)14)11(17)8-2-4-9(5-3-8)18-13(15)16/h2-6,11,13H,17H2,1H3
InChIKeyATXJUJLOVCXXGQ-UHFFFAOYSA-N
MW303.76 g/mol
LogP4.36
Rot. Bonds4

About (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine

(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine (PubChem CID 102763534) has the molecular formula C13H12ClF2NOS and a molecular weight of 303.76 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
PubChem CID102763534
Molecular FormulaC13H12ClF2NOS
Molecular Weight303.76 g/mol
Exact Mass303.03
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
SMILESCc1cc(C(N)c2ccc(OC(F)F)cc2)sc1Cl
InChIInChI=1S/C13H12ClF2NOS/c1-7-6-10(19-12(7)14)11(17)8-2-4-9(5-3-8)18-13(15)16/h2-6,11,13H,17H2,1H3
InChIKeyATXJUJLOVCXXGQ-UHFFFAOYSA-N
XLogP4.36
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene
CID 102764917
(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
CID 102763514
(4-bromo-5-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102827223
(5-chloro-4-methylthiophen-2-yl)-naphthalen-2-ylmethanamine
CID 102763371
[4-(difluoromethoxy)phenyl]-(3,5-dimethylthiophen-2-yl)methanamine
CID 81157249
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(4-chlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 4961731
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 102763420
[4-(difluoromethoxy)phenyl]-(5-ethylthiophen-2-yl)methanamine
CID 43322441
(3,4-dichlorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 43167241
(5-chloro-4-methylthiophen-2-yl)-(3,5-dibromophenyl)methanamine
CID 114023515
(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine
CID 102828102

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine (CID 102763534) is (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine is Cc1cc(C(N)c2ccc(OC(F)F)cc2)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine?
The InChIKey is ATXJUJLOVCXXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF2NOS/c1-7-6-10(19-12(7)14)11(17)8-2-4-9(5-3-8)18-13(15)16/h2-6,11,13H,17H2,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine?
(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine has a molecular weight of 303.76 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 102763534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).