[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine

C14H12BrCl2NO — CID 107655066

IUPAC[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
SMILESCc1cc(Oc2cc(Cl)c(Br)cc2Cl)ccc1CN
InChIInChI=1S/C14H12BrCl2NO/c1-8-4-10(3-2-9(8)7-18)19-14-6-12(16)11(15)5-13(14)17/h2-6H,7,18H2,1H3
InChIKeyBWXJANNUHUAWIM-UHFFFAOYSA-N
MW361.07 g/mol
LogP5.32
Rot. Bonds3

About [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine

[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine (PubChem CID 107655066) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
PubChem CID107655066
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine
SMILESCc1cc(Oc2cc(Cl)c(Br)cc2Cl)ccc1CN
InChIInChI=1S/C14H12BrCl2NO/c1-8-4-10(3-2-9(8)7-18)19-14-6-12(16)11(15)5-13(14)17/h2-6H,7,18H2,1H3
InChIKeyBWXJANNUHUAWIM-UHFFFAOYSA-N
XLogP5.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.07
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]-N-methylmethanamine
CID 107659558
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
[4-(2-bromo-4-methoxyphenoxy)-2-methylphenyl]methanamine
CID 104706389
4-(4-bromo-2,5-dichlorophenoxy)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 107658362
2-bromo-1-(chloromethyl)-4-(2-chloro-5-methylphenoxy)benzene
CID 114060625
[2-(4-chloro-3-methylphenoxy)-4-methoxyphenyl]methanamine
CID 81299924
2-[4-(2-chloro-4-methylphenoxy)-2-methylphenyl]ethanamine
CID 63804026
[2-(3,4-dimethylphenoxy)-4-methylphenyl]methanamine
CID 62309021
1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
[2-methyl-4-(2-methylsulfanylphenoxy)phenyl]methanamine
CID 63647338
1-[4-(4-bromo-2,5-dichlorophenoxy)-2-chlorophenyl]ethanone
CID 107658611
[3-(4-bromo-2,5-dichlorophenoxy)-5-fluorophenyl]methanamine
CID 107655084

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine?
The IUPAC name of [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine (CID 107655066) is [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine.
What is the SMILES notation for [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine?
The canonical SMILES for [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine is Cc1cc(Oc2cc(Cl)c(Br)cc2Cl)ccc1CN.
What is the InChIKey of [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine?
The InChIKey is BWXJANNUHUAWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-8-4-10(3-2-9(8)7-18)19-14-6-12(16)11(15)5-13(14)17/h2-6H,7,18H2,1H3.
What are the key properties of [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine?
[4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine has a molecular weight of 361.07 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-2,5-dichlorophenoxy)-2-methylphenyl]methanamine is sourced from PubChem (CID 107655066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).