4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine

C15H22Cl2N2O — CID 79121912

IUPAC4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CCOc1ccc(Cl)cc1Cl)C1CCC(N)CC1
InChIInChI=1S/C15H22Cl2N2O/c1-19(13-5-3-12(18)4-6-13)8-9-20-15-7-2-11(16)10-14(15)17/h2,7,10,12-13H,3-6,8-9,18H2,1H3
InChIKeyLBTQEELYYSCVKE-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.57
Rot. Bonds5

About 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine

4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79121912) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID79121912
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCN(CCOc1ccc(Cl)cc1Cl)C1CCC(N)CC1
InChIInChI=1S/C15H22Cl2N2O/c1-19(13-5-3-12(18)4-6-13)8-9-20-15-7-2-11(16)10-14(15)17/h2,7,10,12-13H,3-6,8-9,18H2,1H3
InChIKeyLBTQEELYYSCVKE-UHFFFAOYSA-N
XLogP3.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-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-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
4-N-[2-(2,5-dimethylphenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121578
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620
4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79121489
3-(2,4-dichlorophenoxy)-N,N-dimethylpropan-1-amine
CID 5262075
N-[2-[2-chloro-4-[1-(methylamino)ethyl]phenoxy]ethyl]-N-methylcyclopropanamine
CID 102740312
4-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoic acid
CID 102741133
2-[cyclobutyl-[2-(2,4-dichlorophenoxy)ethyl]amino]ethanol
CID 102676706
4-(2,4-dichlorophenoxy)-N-[4-(hydroxymethyl)cyclohexyl]-N-methylbutanamide
CID 25144213
N-[2-(3,6-dichloropyridazin-4-yl)oxyethyl]-N-methylcyclopropanamine
CID 102740004
N-[2-(2,4-dichlorophenoxy)ethyl]-N-ethylpiperidin-4-amine
CID 60807480
8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233711

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine (CID 79121912) is 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine is CN(CCOc1ccc(Cl)cc1Cl)C1CCC(N)CC1.
What is the InChIKey of 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is LBTQEELYYSCVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-19(13-5-3-12(18)4-6-13)8-9-20-15-7-2-11(16)10-14(15)17/h2,7,10,12-13H,3-6,8-9,18H2,1H3.
What are the key properties of 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine?
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 317.26 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79121912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).