N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

C17H21Cl3N2O — CID 170453249

IUPACN'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccccc1Oc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C17H20Cl2N2O.ClH/c1-20-10-11-21(2)12-13-6-3-4-8-15(13)22-16-9-5-7-14(18)17(16)19;/h3-9,20H,10-12H2,1-2H3;1H
InChIKeyLUKOEMAQXJPRJZ-UHFFFAOYSA-N
MW375.73 g/mol
LogP4.86
Rot. Bonds7

About N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride

N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 170453249) has the molecular formula C17H21Cl3N2O and a molecular weight of 375.73 g/mol. Its IUPAC name is N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
PubChem CID170453249
Molecular FormulaC17H21Cl3N2O
Molecular Weight375.73 g/mol
Exact Mass374.07
IUPAC NameN'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
SMILESCNCCN(C)Cc1ccccc1Oc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C17H20Cl2N2O.ClH/c1-20-10-11-21(2)12-13-6-3-4-8-15(13)22-16-9-5-7-14(18)17(16)19;/h3-9,20H,10-12H2,1-2H3;1H
InChIKeyLUKOEMAQXJPRJZ-UHFFFAOYSA-N
XLogP4.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[(2-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374414
1-[2-(2,3-dichlorophenoxy)phenyl]-N-methylmethanamine
CID 43282384
N'-[(2,6-dichlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374397
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
N-[[2-chloro-6-(2-ethylphenoxy)phenyl]methyl]ethanamine
CID 43283802
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 24587420
N'-[(3-chloro-4-methylphenyl)methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride
CID 120843633
N'-[(2-chlorophenyl)methyl]-N-ethyl-N'-methylpentane-1,5-diamine
CID 62412963
1-[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]-N-methylmethanamine
CID 62413491
N-(2-chlorophenyl)-N'-[(2-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62556464

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride (CID 170453249) is N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is CNCCN(C)Cc1ccccc1Oc1cccc(Cl)c1Cl.Cl.
What is the InChIKey of N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is LUKOEMAQXJPRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O.ClH/c1-20-10-11-21(2)12-13-6-3-4-8-15(13)22-16-9-5-7-14(18)17(16)19;/h3-9,20H,10-12H2,1-2H3;1H.
What are the key properties of N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride?
N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 375.73 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(2,3-dichlorophenoxy)phenyl]methyl]-N,N'-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 170453249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).