(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine

C14H12BrCl2N — CID 43629765

IUPAC(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
SMILESCc1cc(Br)ccc1C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12BrCl2N/c1-8-6-10(15)3-4-11(8)14(18)9-2-5-12(16)13(17)7-9/h2-7,14H,18H2,1H3
InChIKeySROMEUVKGXRUPA-UHFFFAOYSA-N
MW345.07 g/mol
LogP5.11
Rot. Bonds2

About (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine

(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine (PubChem CID 43629765) has the molecular formula C14H12BrCl2N and a molecular weight of 345.07 g/mol. Its IUPAC name is (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
PubChem CID43629765
Molecular FormulaC14H12BrCl2N
Molecular Weight345.07 g/mol
Exact Mass342.95
IUPAC Name(4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine
SMILESCc1cc(Br)ccc1C(N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12BrCl2N/c1-8-6-10(15)3-4-11(8)14(18)9-2-5-12(16)13(17)7-9/h2-7,14H,18H2,1H3
InChIKeySROMEUVKGXRUPA-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

(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(4-bromo-2-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827119
[4-bromo-2-(trifluoromethyl)phenyl]-(3-chloro-4-methylphenyl)methanamine
CID 107560241
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43629713
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(4-bromo-2-chlorophenyl)-(4-bromophenyl)methanamine
CID 43805136
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(6-bromonaphthalen-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 115852564
(4-bromophenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 62791686
(4-bromo-2-methylphenyl)-(4-butylphenyl)methanamine
CID 43629735
(4-bromo-2-methylphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 115815769

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine?
The IUPAC name of (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine (CID 43629765) is (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine.
What is the SMILES notation for (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine?
The canonical SMILES for (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine is Cc1cc(Br)ccc1C(N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine?
The InChIKey is SROMEUVKGXRUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N/c1-8-6-10(15)3-4-11(8)14(18)9-2-5-12(16)13(17)7-9/h2-7,14H,18H2,1H3.
What are the key properties of (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine?
(4-bromo-2-methylphenyl)-(3,4-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 (4-bromo-2-methylphenyl)-(3,4-dichlorophenyl)methanamine is sourced from PubChem (CID 43629765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).