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

C15H14BrClFN — CID 82875568

IUPAC(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(Cl)c2)c(C)cc1Br
InChIInChI=1S/C15H14BrClFN/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7,15H,19H2,1-2H3
InChIKeyDULAQNAMHOMVRU-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.91
Rot. Bonds2

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

(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine (PubChem CID 82875568) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
PubChem CID82875568
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(Cl)c2)c(C)cc1Br
InChIInChI=1S/C15H14BrClFN/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7,15H,19H2,1-2H3
InChIKeyDULAQNAMHOMVRU-UHFFFAOYSA-N
XLogP4.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-fluorophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990701
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107998871
(3-chloro-4-fluorophenyl)-(4-methylnaphthalen-1-yl)methanamine
CID 82876904
(3-chloro-4-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822542
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-fluorophenyl)methanamine
CID 82873587
(3-bromo-4-fluorophenyl)-(2,4-dimethylphenyl)methanamine
CID 79746589
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
(3-bromo-4-fluorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107950673

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine (CID 82875568) is (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine is Cc1cc(C(N)c2ccc(F)c(Cl)c2)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine?
The InChIKey is DULAQNAMHOMVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-8-6-12(16)9(2)5-11(8)15(19)10-3-4-14(18)13(17)7-10/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine?
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine has a molecular weight of 342.64 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine is sourced from PubChem (CID 82875568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).