[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine

C14H12BrCl2NO — CID 107656486

IUPAC[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
SMILESNCc1cccc(COc2cc(Cl)c(Br)cc2Cl)c1
InChIInChI=1S/C14H12BrCl2NO/c15-11-5-13(17)14(6-12(11)16)19-8-10-3-1-2-9(4-10)7-18/h1-6H,7-8,18H2
InChIKeyLIZPEJBDWNSWMB-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.79
Rot. Bonds4

About [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine

[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine (PubChem CID 107656486) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
PubChem CID107656486
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine
SMILESNCc1cccc(COc2cc(Cl)c(Br)cc2Cl)c1
InChIInChI=1S/C14H12BrCl2NO/c15-11-5-13(17)14(6-12(11)16)19-8-10-3-1-2-9(4-10)7-18/h1-6H,7-8,18H2
InChIKeyLIZPEJBDWNSWMB-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]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

[3-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
CID 107656471
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
CID 79416158
[3-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]methanamine
CID 43804629
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
1-[4-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 107661048
3-[(4-bromo-2,5-dichlorophenoxy)methyl]-2-methylaniline
CID 107656068
[2-[(4-bromo-2,5-dichlorophenoxy)methyl]-5-fluorophenyl]methanamine
CID 107656480
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
3-(4-bromo-2,5-dichlorophenoxy)propan-1-amine
CID 107656499

Frequently Asked Questions

What is the IUPAC name of [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine (CID 107656486) is [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine is NCc1cccc(COc2cc(Cl)c(Br)cc2Cl)c1.
What is the InChIKey of [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine?
The InChIKey is LIZPEJBDWNSWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c15-11-5-13(17)14(6-12(11)16)19-8-10-3-1-2-9(4-10)7-18/h1-6H,7-8,18H2.
What are the key properties of [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine?
[3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine has a molecular weight of 361.07 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-bromo-2,5-dichlorophenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 107656486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).