N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

C19H23Cl3N2O2 — CID 4720885

IUPACN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl3N2O2/c1-24(2)7-6-23-11-13-8-17(22)19(18(9-13)25-3)26-12-14-4-5-15(20)10-16(14)21/h4-5,8-10,23H,6-7,11-12H2,1-3H3
InChIKeyUGSKUBZVQBGNSB-UHFFFAOYSA-N
MW417.76 g/mol
LogP4.89
Rot. Bonds9

About N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 4720885) has the molecular formula C19H23Cl3N2O2 and a molecular weight of 417.76 g/mol. Its IUPAC name is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID4720885
Molecular FormulaC19H23Cl3N2O2
Molecular Weight417.76 g/mol
Exact Mass416.08
IUPAC NameN-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H23Cl3N2O2/c1-24(2)7-6-23-11-13-8-17(22)19(18(9-13)25-3)26-12-14-4-5-15(20)10-16(14)21/h4-5,8-10,23H,6-7,11-12H2,1-3H3
InChIKeyUGSKUBZVQBGNSB-UHFFFAOYSA-N
XLogP4.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.76
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine;hydrochloride
CID 17209702
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]pentan-1-amine;hydrochloride
CID 17291021
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 17208110
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylmethanamine;hydrochloride
CID 17288941
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207288
2-[3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214160
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332495
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4719150
N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209705
[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 20986328
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155442

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine (CID 4720885) is N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is COc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UGSKUBZVQBGNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl3N2O2/c1-24(2)7-6-23-11-13-8-17(22)19(18(9-13)25-3)26-12-14-4-5-15(20)10-16(14)21/h4-5,8-10,23H,6-7,11-12H2,1-3H3.
What are the key properties of N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine?
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 417.76 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 4720885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).