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

C15H14BrF2N — CID 104851342

IUPAC(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(Br)cc(C(N)c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C15H14BrF2N/c1-8-3-10(6-11(16)4-8)15(19)12-5-9(2)13(17)7-14(12)18/h3-7,15H,19H2,1-2H3
InChIKeyLYUINAFUBUXDBR-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.39
Rot. Bonds2

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

(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 104851342) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID104851342
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(Br)cc(C(N)c2cc(C)c(F)cc2F)c1
InChIInChI=1S/C15H14BrF2N/c1-8-3-10(6-11(16)4-8)15(19)12-5-9(2)13(17)7-14(12)18/h3-7,15H,19H2,1-2H3
InChIKeyLYUINAFUBUXDBR-UHFFFAOYSA-N
XLogP4.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105398591
(5-bromo-2-fluorophenyl)-(3-chloro-5-methylphenyl)methanamine
CID 105011988
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
(3-bromo-5-methylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 104851108
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanamine
CID 106877289
(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032843
1-[chloro-(3,5-dibromophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 114023654
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
(4-bromo-2-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 115369006

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine (CID 104851342) is (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(Br)cc(C(N)c2cc(C)c(F)cc2F)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is LYUINAFUBUXDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-8-3-10(6-11(16)4-8)15(19)12-5-9(2)13(17)7-14(12)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine?
(3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine has a molecular weight of 326.18 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 104851342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).