[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine

C14H13BrClNO — CID 107926522

IUPAC[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2cc(Br)ccc2Cl)c(CN)c1
InChIInChI=1S/C14H13BrClNO/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-7H,8,17H2,1H3
InChIKeyVPQKJTMZHJSABN-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.66
Rot. Bonds3

About [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine

[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine (PubChem CID 107926522) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
PubChem CID107926522
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine
SMILESCc1ccc(Oc2cc(Br)ccc2Cl)c(CN)c1
InChIInChI=1S/C14H13BrClNO/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-7H,8,17H2,1H3
InChIKeyVPQKJTMZHJSABN-UHFFFAOYSA-N
XLogP4.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926487
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
2-(5-bromo-2-chlorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930220
[2-(4-chlorophenoxy)-5-methylphenyl]methanamine
CID 107926488
[4-(2-chloro-5-methylphenoxy)-2-methylphenyl]methanamine
CID 55038503
[2-bromo-6-(2-chloro-5-methylphenoxy)phenyl]methanamine
CID 114879926
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855
[5-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]methanamine
CID 114889959
1-[5-bromo-2-(2-chloro-5-methylphenoxy)phenyl]ethanone
CID 82971994
1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
[2-(2,4-difluorophenoxy)-5-methylphenyl]methanamine
CID 114016683

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine?
The IUPAC name of [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine (CID 107926522) is [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine.
What is the SMILES notation for [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine?
The canonical SMILES for [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine is Cc1ccc(Oc2cc(Br)ccc2Cl)c(CN)c1.
What is the InChIKey of [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine?
The InChIKey is VPQKJTMZHJSABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-9-2-5-13(10(6-9)8-17)18-14-7-11(15)3-4-12(14)16/h2-7H,8,17H2,1H3.
What are the key properties of [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine?
[2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine has a molecular weight of 326.62 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-chlorophenoxy)-5-methylphenyl]methanamine is sourced from PubChem (CID 107926522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).