3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine

C11H17ClN2O — CID 116820989

IUPAC3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)CC(N)COc1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2O/c1-14(2)7-10(13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,7-8,13H2,1-2H3
InChIKeyQNSOAARTMSSJJS-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.61
Rot. Bonds5

About 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine

3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 116820989) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID116820989
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)CC(N)COc1ccc(Cl)cc1
InChIInChI=1S/C11H17ClN2O/c1-14(2)7-10(13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,7-8,13H2,1-2H3
InChIKeyQNSOAARTMSSJJS-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-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

3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820988
1-(4-chlorophenoxy)-3-propoxypropan-2-amine
CID 105165280
3-amino-4-(4-chlorophenoxy)butanenitrile
CID 82126783
1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-amine
CID 105101373
(2S)-3-(4-chlorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine;hydrochloride
CID 67153399
1-(4-chlorophenoxy)-6,6-dimethylhept-4-yn-2-amine
CID 114190590
1-(4-chlorophenoxy)-3-(2-chlorophenyl)propan-2-amine
CID 105096248
1-chloro-4-(2,2-dichloroethoxy)benzene
CID 143327001
3-[(4-chlorophenoxy)methyl]-4-(dimethylamino)-2-phenylbutan-2-ol
CID 13298975
1-(2-chloro-4-methylphenyl)-3-(4-chlorophenoxy)propan-2-amine
CID 106867316
2-amino-3-(4-chlorophenoxy)propanenitrile
CID 55270020
1-(4-chlorophenoxy)-3-(2-fluorophenyl)propan-2-amine
CID 105090089

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine (CID 116820989) is 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine is CN(C)CC(N)COc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is QNSOAARTMSSJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14(2)7-10(13)8-15-11-5-3-9(12)4-6-11/h3-6,10H,7-8,13H2,1-2H3.
What are the key properties of 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 228.72 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 116820989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).