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

C15H14Br2ClN — CID 107950603

IUPAC(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)cc1Br
InChIInChI=1S/C15H14Br2ClN/c1-8-4-14(17)9(2)3-13(8)15(19)10-5-11(16)7-12(18)6-10/h3-7,15H,19H2,1-2H3
InChIKeyWIZBUXRRGYUPDZ-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.53
Rot. Bonds2

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

(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine (PubChem CID 107950603) has the molecular formula C15H14Br2ClN and a molecular weight of 403.55 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
PubChem CID107950603
Molecular FormulaC15H14Br2ClN
Molecular Weight403.55 g/mol
Exact Mass400.92
IUPAC Name(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)cc1Br
InChIInChI=1S/C15H14Br2ClN/c1-8-4-14(17)9(2)3-13(8)15(19)10-5-11(16)7-12(18)6-10/h3-7,15H,19H2,1-2H3
InChIKeyWIZBUXRRGYUPDZ-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
CID 107950627
1,4-dibromo-2-[bromo-(3-bromo-5-chlorophenyl)methyl]-5-methylbenzene
CID 114020889
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568
(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107950523
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107959104
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-methylthiophen-2-yl)methanamine
CID 103401154
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001
(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032843
(4-bromophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 64990399

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine (CID 107950603) is (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine is Cc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)cc1Br.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine?
The InChIKey is WIZBUXRRGYUPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClN/c1-8-4-14(17)9(2)3-13(8)15(19)10-5-11(16)7-12(18)6-10/h3-7,15H,19H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine?
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine has a molecular weight of 403.55 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 107950603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).