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

C15H14BrCl2NO2 — CID 43118241

IUPAC(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C15H14BrCl2NO2/c1-20-13-6-10(11(16)7-14(13)21-2)15(19)9-4-3-8(17)5-12(9)18/h3-7,15H,19H2,1-2H3
InChIKeyIAEIYEPBFXTJAQ-UHFFFAOYSA-N
MW391.09 g/mol
LogP4.82
Rot. Bonds4

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

(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine (PubChem CID 43118241) has the molecular formula C15H14BrCl2NO2 and a molecular weight of 391.09 g/mol. Its IUPAC name is (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
PubChem CID43118241
Molecular FormulaC15H14BrCl2NO2
Molecular Weight391.09 g/mol
Exact Mass388.96
IUPAC Name(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C15H14BrCl2NO2/c1-20-13-6-10(11(16)7-14(13)21-2)15(19)9-4-3-8(17)5-12(9)18/h3-7,15H,19H2,1-2H3
InChIKeyIAEIYEPBFXTJAQ-UHFFFAOYSA-N
XLogP4.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43118226
1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991493
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(4-bromo-2-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 43330541
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
(4-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 62865509
(2-chloro-4-methylphenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 106861063
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine?
The IUPAC name of (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine (CID 43118241) is (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine.
What is the SMILES notation for (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine?
The canonical SMILES for (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine is COc1cc(Br)c(C(N)c2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine?
The InChIKey is IAEIYEPBFXTJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO2/c1-20-13-6-10(11(16)7-14(13)21-2)15(19)9-4-3-8(17)5-12(9)18/h3-7,15H,19H2,1-2H3.
What are the key properties of (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine?
(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine has a molecular weight of 391.09 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine is sourced from PubChem (CID 43118241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).