N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride

C10H17BrCl2N2O — CID 69275255

IUPACN'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNCCOc1ccccc1Br
InChIInChI=1S/C10H15BrN2O.2ClH/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12;;/h1-4,13H,5-8,12H2;2*1H
InChIKeyLRTIZWGBEGGIFC-UHFFFAOYSA-N
MW332.07 g/mol
LogP2.22
Rot. Bonds6

About N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride

N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride (PubChem CID 69275255) has the molecular formula C10H17BrCl2N2O and a molecular weight of 332.07 g/mol. Its IUPAC name is N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
PubChem CID69275255
Molecular FormulaC10H17BrCl2N2O
Molecular Weight332.07 g/mol
Exact Mass329.99
IUPAC NameN'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNCCOc1ccccc1Br
InChIInChI=1S/C10H15BrN2O.2ClH/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12;;/h1-4,13H,5-8,12H2;2*1H
InChIKeyLRTIZWGBEGGIFC-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.07
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride 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'-[2-(2-chlorophenoxy)ethyl]ethane-1,2-diamine
CID 69274969
3-(2-bromophenoxy)propylhydrazine
CID 94688539
2-(2-bromophenoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 68827135
1-bromo-2-(3-chloropropoxy)benzene
CID 22048648
(2-bromophenoxy)methanamine
CID 57278354
N-[2-(2-bromophenoxy)ethyl]-4-chloroaniline
CID 63505941
(2R)-N-[3-(2-bromophenoxy)propyl]butan-2-amine
CID 2182681
1-bromo-2-(3-phenoxypropoxy)benzene
CID 60665314
1-bromo-2-(4-phenoxybutoxy)benzene
CID 54285155
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
[4-[3-(2-bromophenoxy)propoxy]phenyl]methanamine
CID 43530985
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride (CID 69275255) is N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNCCOc1ccccc1Br.
What is the InChIKey of N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride?
The InChIKey is LRTIZWGBEGGIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O.2ClH/c11-9-3-1-2-4-10(9)14-8-7-13-6-5-12;;/h1-4,13H,5-8,12H2;2*1H.
What are the key properties of N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride?
N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride has a molecular weight of 332.07 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-bromophenoxy)ethyl]ethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 69275255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).