(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine

C13H13BrFNS — CID 102827103

IUPAC(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Br)c(C)s2)ccc1F
InChIInChI=1S/C13H13BrFNS/c1-7-5-9(3-4-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6,13H,16H2,1-2H3
InChIKeyOLRVHNFWQMWNFQ-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.31
Rot. Bonds2

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

(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine (PubChem CID 102827103) has the molecular formula C13H13BrFNS and a molecular weight of 314.22 g/mol. Its IUPAC name is (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
PubChem CID102827103
Molecular FormulaC13H13BrFNS
Molecular Weight314.22 g/mol
Exact Mass312.99
IUPAC Name(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Br)c(C)s2)ccc1F
InChIInChI=1S/C13H13BrFNS/c1-7-5-9(3-4-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6,13H,16H2,1-2H3
InChIKeyOLRVHNFWQMWNFQ-UHFFFAOYSA-N
XLogP4.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-methylthiophen-2-yl)-(4-chlorophenyl)methanamine
CID 102827146
(4,5-dibromothiophen-2-yl)-(3,4-dimethylphenyl)methanamine
CID 80532992
3-bromo-5-[bromo-(3-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835829
(4-bromo-5-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102827223
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(4-bromo-5-methylthiophen-2-yl)-(2-fluoro-4-methylphenyl)methanamine
CID 102827122
(5-bromo-2-methylphenyl)-(4-bromo-5-methylthiophen-2-yl)methanamine
CID 102827023
(4-bromo-5-methylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 102827186
3-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-methylthiophene
CID 107959212
3-bromo-5-[bromo-(2,6-difluoro-3-methylphenyl)methyl]-2-methylthiophene
CID 102835742
(3-bromo-4-methoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 65237691
3-bromo-5-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-methylthiophene
CID 102835325

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The IUPAC name of (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine (CID 102827103) is (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine is Cc1cc(C(N)c2cc(Br)c(C)s2)ccc1F.
What is the InChIKey of (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
The InChIKey is OLRVHNFWQMWNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNS/c1-7-5-9(3-4-11(7)15)13(16)12-6-10(14)8(2)17-12/h3-6,13H,16H2,1-2H3.
What are the key properties of (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine?
(4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine has a molecular weight of 314.22 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 102827103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).