(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine

C15H15BrClNO — CID 43805331

IUPAC(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClNO/c1-9-3-6-14(19-2)12(7-9)15(18)11-5-4-10(16)8-13(11)17/h3-8,15H,18H2,1-2H3
InChIKeyXBOCWSHRGKQKMM-UHFFFAOYSA-N
MW340.65 g/mol
LogP4.47
Rot. Bonds3

About (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine

(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine (PubChem CID 43805331) has the molecular formula C15H15BrClNO and a molecular weight of 340.65 g/mol. Its IUPAC name is (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
PubChem CID43805331
Molecular FormulaC15H15BrClNO
Molecular Weight340.65 g/mol
Exact Mass339.00
IUPAC Name(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
SMILESCOc1ccc(C)cc1C(N)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H15BrClNO/c1-9-3-6-14(19-2)12(7-9)15(18)11-5-4-10(16)8-13(11)17/h3-8,15H,18H2,1-2H3
InChIKeyXBOCWSHRGKQKMM-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
(4-bromo-2-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024957
(5-bromo-2-methoxyphenyl)-(3-chloro-2-methylphenyl)methanamine
CID 107096345
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2-bromo-5-methylphenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 81109542
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
2-(4-bromo-2-chloroanilino)-1-(2-methoxy-5-methylphenyl)ethanol
CID 60901198
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817163
1-[bromo-(2,5-dimethoxyphenyl)methyl]-2-chloro-4-methylbenzene
CID 106863008
(2-methoxy-5-methylphenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 62505242
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine?
The IUPAC name of (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine (CID 43805331) is (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine.
What is the SMILES notation for (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine?
The canonical SMILES for (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine is COc1ccc(C)cc1C(N)c1ccc(Br)cc1Cl.
What is the InChIKey of (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine?
The InChIKey is XBOCWSHRGKQKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO/c1-9-3-6-14(19-2)12(7-9)15(18)11-5-4-10(16)8-13(11)17/h3-8,15H,18H2,1-2H3.
What are the key properties of (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine?
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine has a molecular weight of 340.65 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine is sourced from PubChem (CID 43805331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).