(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine

C14H12BrCl2N — CID 65307651

IUPAC(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2N/c1-8-2-3-9(15)6-12(8)14(18)11-5-4-10(16)7-13(11)17/h2-7,14H,18H2,1H3
InChIKeyDIRSMSPSNBHPRC-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.11
Rot. Bonds2

About (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine

(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine (PubChem CID 65307651) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
PubChem CID65307651
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine
SMILESCc1ccc(Br)cc1C(N)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H12BrCl2N/c1-8-2-3-9(15)6-12(8)14(18)11-5-4-10(16)7-13(11)17/h2-7,14H,18H2,1H3
InChIKeyDIRSMSPSNBHPRC-UHFFFAOYSA-N
XLogP5.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.07
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 107981990
(5-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43378974
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanamine
CID 63504339
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65307701
(5-bromo-2-fluorophenyl)-(2,5-dichlorophenyl)methanamine
CID 43344673
(2-bromo-4-methoxyphenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65308241
2-(4-bromophenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 82883536
1-[bromo-(5-bromo-2-methylphenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 113319646

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The IUPAC name of (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine (CID 65307651) is (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine is Cc1ccc(Br)cc1C(N)c1ccc(Cl)cc1Cl.
What is the InChIKey of (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine?
The InChIKey is DIRSMSPSNBHPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-8-2-3-9(15)6-12(8)14(18)11-5-4-10(16)7-13(11)17/h2-7,14H,18H2,1H3.
What are the key properties of (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine?
(5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine has a molecular weight of 345.07 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methylphenyl)-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 65307651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).