(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine

C12H10BrClFNS — CID 65279660

IUPAC(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2ccc(Cl)cc2F)s1
InChIInChI=1S/C12H10BrClFNS/c1-6-4-9(13)12(17-6)11(16)8-3-2-7(14)5-10(8)15/h2-5,11H,16H2,1H3
InChIKeyMWQSFMYJBWBMHE-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.66
Rot. Bonds2

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

(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine (PubChem CID 65279660) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
PubChem CID65279660
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2ccc(Cl)cc2F)s1
InChIInChI=1S/C12H10BrClFNS/c1-6-4-9(13)12(17-6)11(16)8-3-2-7(14)5-10(8)15/h2-5,11H,16H2,1H3
InChIKeyMWQSFMYJBWBMHE-UHFFFAOYSA-N
XLogP4.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884050
(3-bromo-5-methylthiophen-2-yl)-(2-fluoro-5-methylphenyl)methanamine
CID 65279068
(3-bromo-5-methylthiophen-2-yl)-(3,5-dichlorophenyl)methanamine
CID 65279390
3-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-5-methylthiophene
CID 107991928
(3-bromo-5-methylthiophen-2-yl)-(3-chloro-2-methylphenyl)methanamine
CID 107096553
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43107900
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(3-bromo-5-methylthiophen-2-yl)-(2,4-dimethoxyphenyl)methanamine
CID 65279816
(4-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513337
(4-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 63081418
(2-bromo-6-fluorophenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 114886653

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The IUPAC name of (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine (CID 65279660) is (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine is Cc1cc(Br)c(C(N)c2ccc(Cl)cc2F)s1.
What is the InChIKey of (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
The InChIKey is MWQSFMYJBWBMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c1-6-4-9(13)12(17-6)11(16)8-3-2-7(14)5-10(8)15/h2-5,11H,16H2,1H3.
What are the key properties of (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine?
(3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine has a molecular weight of 334.64 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylthiophen-2-yl)-(4-chloro-2-fluorophenyl)methanamine is sourced from PubChem (CID 65279660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).