N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine

C18H21BrCl2N2O — CID 4720637

IUPACN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21BrCl2N2O/c1-22-7-2-8-23-11-14-9-15(19)4-6-18(14)24-12-13-3-5-16(20)10-17(13)21/h3-6,9-10,22-23H,2,7-8,11-12H2,1H3
InChIKeyZEVWYNUAKBSKKQ-UHFFFAOYSA-N
MW432.19 g/mol
LogP5.03
Rot. Bonds9

About N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine

N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine (PubChem CID 4720637) has the molecular formula C18H21BrCl2N2O and a molecular weight of 432.19 g/mol. Its IUPAC name is N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
PubChem CID4720637
Molecular FormulaC18H21BrCl2N2O
Molecular Weight432.19 g/mol
Exact Mass430.02
IUPAC NameN'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine
SMILESCNCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H21BrCl2N2O/c1-22-7-2-8-23-11-14-9-15(19)4-6-18(14)24-12-13-3-5-16(20)10-17(13)21/h3-6,9-10,22-23H,2,7-8,11-12H2,1H3
InChIKeyZEVWYNUAKBSKKQ-UHFFFAOYSA-N
XLogP5.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.19
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine 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

N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-butoxypropan-1-amine
CID 17207665
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207664
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724122
N-[[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716843
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289446
N'-[(5-chloro-2-phenylmethoxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 4720934
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17295138
N'-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17295184
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17295145
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]hexan-1-amine
CID 4716815
N-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]tetrazolidin-5-amine
CID 78363744

Frequently Asked Questions

What is the IUPAC name of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine?
The IUPAC name of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine (CID 4720637) is N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine is CNCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine?
The InChIKey is ZEVWYNUAKBSKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrCl2N2O/c1-22-7-2-8-23-11-14-9-15(19)4-6-18(14)24-12-13-3-5-16(20)10-17(13)21/h3-6,9-10,22-23H,2,7-8,11-12H2,1H3.
What are the key properties of N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine?
N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine has a molecular weight of 432.19 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-N-methylpropane-1,3-diamine is sourced from PubChem (CID 4720637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).