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

C11H17ClN2O — CID 116820988

IUPAC3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)CC(N)COc1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-14(2)7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6,10H,7-8,13H2,1-2H3
InChIKeyMWFXPJUYBWCMIC-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.61
Rot. Bonds5

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

3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 116820988) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID116820988
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCN(C)CC(N)COc1cccc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-14(2)7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6,10H,7-8,13H2,1-2H3
InChIKeyMWFXPJUYBWCMIC-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

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Related Compounds

1-(3-chlorophenoxy)-5-methylhexan-2-amine
CID 105126678
3-(3-chlorophenoxy)propane-1,2-diamine
CID 70391291
3-(4-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine
CID 116820989
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
1-(3-chlorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262539
1-(3-chlorophenoxy)-3,3-dimethylbutan-2-amine
CID 105145912
1-(3-chlorophenoxy)-3-cyclopropylpropan-2-amine
CID 105152729
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067
methyl 2-amino-3-(3-chlorophenoxy)propanoate
CID 86263202
4-(3-ethoxyphenoxy)-1-N,1-N-dimethylbutane-1,2-diamine
CID 116820951
1-chloro-3-(2-methylbutoxy)benzene
CID 64764370
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine (CID 116820988) is 3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine is CN(C)CC(N)COc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is MWFXPJUYBWCMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14(2)7-10(13)8-15-11-5-3-4-9(12)6-11/h3-6,10H,7-8,13H2,1-2H3.
What are the key properties of 3-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine?
3-(3-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-(3-chlorophenoxy)-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 116820988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).