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

C15H15BrClN — CID 115566688

IUPAC(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C15H15BrClN/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-14(17)13(16)8-11/h3-8,15H,18H2,1-2H3
InChIKeyMRLUTYMPTVTUDT-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.77
Rot. Bonds2

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

(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine (PubChem CID 115566688) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
PubChem CID115566688
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
SMILESCc1cccc(C(N)c2ccc(Cl)c(Br)c2)c1C
InChIInChI=1S/C15H15BrClN/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-14(17)13(16)8-11/h3-8,15H,18H2,1-2H3
InChIKeyMRLUTYMPTVTUDT-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107998871
(2,3-dimethylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43149160
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(3-bromo-4-fluorophenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096574
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107096610

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine (CID 115566688) is (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine is Cc1cccc(C(N)c2ccc(Cl)c(Br)c2)c1C.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine?
The InChIKey is MRLUTYMPTVTUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-9-4-3-5-12(10(9)2)15(18)11-6-7-14(17)13(16)8-11/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine?
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine has a molecular weight of 324.65 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine is sourced from PubChem (CID 115566688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).