(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine

C15H14Br2FN — CID 106646192

IUPAC(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(Br)c2F)cc(C)c1Br
InChIInChI=1S/C15H14Br2FN/c1-8-6-10(7-9(2)13(8)17)15(19)11-4-3-5-12(16)14(11)18/h3-7,15H,19H2,1-2H3
InChIKeySRJXFEHNGJOXRM-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.02
Rot. Bonds2

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

(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine (PubChem CID 106646192) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
PubChem CID106646192
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(Br)c2F)cc(C)c1Br
InChIInChI=1S/C15H14Br2FN/c1-8-6-10(7-9(2)13(8)17)15(19)11-4-3-5-12(16)14(11)18/h3-7,15H,19H2,1-2H3
InChIKeySRJXFEHNGJOXRM-UHFFFAOYSA-N
XLogP5.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.09
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanamine
CID 106645435
(3-bromo-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107985569
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(4-bromo-3,5-dimethylphenyl)-(2-methylphenyl)methanamine
CID 114330275
(3-bromo-2-fluorophenyl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 107950729
(3-bromo-2-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 106648227
(3-bromo-2-fluorophenyl)-(2-chloro-3-methylphenyl)methanamine
CID 106648243
(3-bromo-2-fluorophenyl)-(4-chloro-2-methylphenyl)methanamine
CID 114028370
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(3-bromo-2-fluorophenyl)-pyrimidin-5-ylmethanamine
CID 106647995
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine (CID 106646192) is (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine is Cc1cc(C(N)c2cccc(Br)c2F)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine?
The InChIKey is SRJXFEHNGJOXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-8-6-10(7-9(2)13(8)17)15(19)11-4-3-5-12(16)14(11)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine?
(4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine has a molecular weight of 387.09 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(3-bromo-2-fluorophenyl)methanamine is sourced from PubChem (CID 106646192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).