(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine

C14H11BrF3N — CID 79725047

IUPAC(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2Br)c(F)cc1F
InChIInChI=1S/C14H11BrF3N/c1-7-4-10(13(18)6-12(7)17)14(19)9-5-8(16)2-3-11(9)15/h2-6,14H,19H2,1H3
InChIKeyJJESLXSAJFSDEP-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.22
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine

(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 79725047) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID79725047
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(F)ccc2Br)c(F)cc1F
InChIInChI=1S/C14H11BrF3N/c1-7-4-10(13(18)6-12(7)17)14(19)9-5-8(16)2-3-11(9)15/h2-6,14H,19H2,1H3
InChIKeyJJESLXSAJFSDEP-UHFFFAOYSA-N
XLogP4.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2-bromo-5-methylphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301728
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006
(2-bromo-4-fluorophenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301576
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(3-bromothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79724955
1-(2-bromo-5-fluorophenyl)ethanamine
CID 83350018
(2-chloro-4-fluoro-5-methylphenyl)-(2,4-difluorophenyl)methanamine
CID 81045743

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine (CID 79725047) is (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2cc(F)ccc2Br)c(F)cc1F.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is JJESLXSAJFSDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-7-4-10(13(18)6-12(7)17)14(19)9-5-8(16)2-3-11(9)15/h2-6,14H,19H2,1H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine has a molecular weight of 330.15 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 79725047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).