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

C14H11BrF3N — CID 107950729

IUPAC(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
SMILESCc1cc(F)c(C(N)c2cccc(Br)c2F)cc1F
InChIInChI=1S/C14H11BrF3N/c1-7-5-12(17)9(6-11(7)16)14(19)8-3-2-4-10(15)13(8)18/h2-6,14H,19H2,1H3
InChIKeyIXUQOVWIAZBXAU-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.22
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine

(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine (PubChem CID 107950729) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
PubChem CID107950729
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
SMILESCc1cc(F)c(C(N)c2cccc(Br)c2F)cc1F
InChIInChI=1S/C14H11BrF3N/c1-7-5-12(17)9(6-11(7)16)14(19)8-3-2-4-10(15)13(8)18/h2-6,14H,19H2,1H3
InChIKeyIXUQOVWIAZBXAU-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

(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 106646192
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(3-bromo-2-fluorophenyl)-(2-methoxyphenyl)methanamine
CID 106645247
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855266
(3-bromo-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 107950245

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine (CID 107950729) is (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine is Cc1cc(F)c(C(N)c2cccc(Br)c2F)cc1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine?
The InChIKey is IXUQOVWIAZBXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-7-5-12(17)9(6-11(7)16)14(19)8-3-2-4-10(15)13(8)18/h2-6,14H,19H2,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine?
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-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 (3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine is sourced from PubChem (CID 107950729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).