(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine

C15H14Br2FN — CID 81473098

IUPAC(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2cc(F)ccc2C)cc1Br
InChIInChI=1S/C15H14Br2FN/c1-8-3-4-10(18)6-11(8)15(19)12-7-13(16)9(2)5-14(12)17/h3-7,15H,19H2,1-2H3
InChIKeyNBTXOMKDFXFEOK-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.02
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine

(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 81473098) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID81473098
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2cc(F)ccc2C)cc1Br
InChIInChI=1S/C15H14Br2FN/c1-8-3-4-10(18)6-11(8)15(19)12-7-13(16)9(2)5-14(12)17/h3-7,15H,19H2,1-2H3
InChIKeyNBTXOMKDFXFEOK-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

(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 62387434
(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 105142450
1,4-dibromo-2-[chloro-(2-chloro-4-fluorophenyl)methyl]-5-methylbenzene
CID 81472723
1-(5-fluoro-2-methylphenyl)-2-methylpropan-1-amine
CID 60730207
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115852060
1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine (CID 81473098) is (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine is Cc1cc(Br)c(C(N)c2cc(F)ccc2C)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is NBTXOMKDFXFEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-8-3-4-10(18)6-11(8)15(19)12-7-13(16)9(2)5-14(12)17/h3-7,15H,19H2,1-2H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine?
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)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 (2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 81473098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).