(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine

C14H11BrF3N — CID 105027240

IUPAC(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(Br)c(F)c2)c1F
InChIInChI=1S/C14H11BrF3N/c1-7-2-5-10(16)12(13(7)18)14(19)8-3-4-9(15)11(17)6-8/h2-6,14H,19H2,1H3
InChIKeyXHPOLQFBWLQNCW-UHFFFAOYSA-N
MW330.15 g/mol
LogP4.22
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine

(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine (PubChem CID 105027240) has the molecular formula C14H11BrF3N and a molecular weight of 330.15 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
PubChem CID105027240
Molecular FormulaC14H11BrF3N
Molecular Weight330.15 g/mol
Exact Mass329.00
IUPAC Name(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
SMILESCc1ccc(F)c(C(N)c2ccc(Br)c(F)c2)c1F
InChIInChI=1S/C14H11BrF3N/c1-7-2-5-10(16)12(13(7)18)14(19)8-3-4-9(15)11(17)6-8/h2-6,14H,19H2,1H3
InChIKeyXHPOLQFBWLQNCW-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-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(2,6-difluoro-3-methylphenyl)-(3-fluoro-4-methoxyphenyl)methanamine
CID 82814367
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(3-chlorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822372
(3-bromo-2,6-difluorophenyl)-(4-fluorophenyl)methanamine
CID 106942181
(2,6-difluoro-3-methylphenyl)-(3,5-dimethoxyphenyl)methanamine
CID 105013679
(3-fluoro-4-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43109404
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(3-bromo-2,6-difluorophenyl)-(4-methoxyphenyl)methanamine
CID 106942165
(4-bromo-3-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methanamine
CID 81436366
(1S)-1-(4-bromo-3-fluorophenyl)-2-methylpropan-1-amine
CID 131093458

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The IUPAC name of (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine (CID 105027240) is (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine is Cc1ccc(F)c(C(N)c2ccc(Br)c(F)c2)c1F.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
The InChIKey is XHPOLQFBWLQNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3N/c1-7-2-5-10(16)12(13(7)18)14(19)8-3-4-9(15)11(17)6-8/h2-6,14H,19H2,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine?
(4-bromo-3-fluorophenyl)-(2,6-difluoro-3-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 (4-bromo-3-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine is sourced from PubChem (CID 105027240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).