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

C15H15BrFN — CID 79746589

IUPAC(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(F)c(Br)c2)c(C)c1
InChIInChI=1S/C15H15BrFN/c1-9-3-5-12(10(2)7-9)15(18)11-4-6-14(17)13(16)8-11/h3-8,15H,18H2,1-2H3
InChIKeyXBJDCPHHJYALTP-UHFFFAOYSA-N
MW308.19 g/mol
LogP4.25
Rot. Bonds2

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

(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine (PubChem CID 79746589) has the molecular formula C15H15BrFN and a molecular weight of 308.19 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
PubChem CID79746589
Molecular FormulaC15H15BrFN
Molecular Weight308.19 g/mol
Exact Mass307.04
IUPAC Name(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
SMILESCc1ccc(C(N)c2ccc(F)c(Br)c2)c(C)c1
InChIInChI=1S/C15H15BrFN/c1-9-3-5-12(10(2)7-9)15(18)11-4-6-14(17)13(16)8-11/h3-8,15H,18H2,1-2H3
InChIKeyXBJDCPHHJYALTP-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.19
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498
(2-bromo-5-methylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107130353
(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 79747168
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanamine
CID 79746837
(2,4-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 43198537
(3-bromo-4-fluorophenyl)-(4-tert-butylphenyl)methanamine
CID 79746427
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine?
The IUPAC name of (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine (CID 79746589) is (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine is Cc1ccc(C(N)c2ccc(F)c(Br)c2)c(C)c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine?
The InChIKey is XBJDCPHHJYALTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN/c1-9-3-5-12(10(2)7-9)15(18)11-4-6-14(17)13(16)8-11/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine?
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine has a molecular weight of 308.19 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine is sourced from PubChem (CID 79746589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).