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

C11H16Cl2N2 — CID 116948774

IUPAC1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C(C)CN
InChIInChI=1S/C11H16Cl2N2/c1-7(6-14)11(15-2)8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyMDCAVXGAFQGROI-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.85
Rot. Bonds4

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

1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine (PubChem CID 116948774) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
PubChem CID116948774
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine
SMILESCNC(c1ccc(Cl)c(Cl)c1)C(C)CN
InChIInChI=1S/C11H16Cl2N2/c1-7(6-14)11(15-2)8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3
InChIKeyMDCAVXGAFQGROI-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3,4-dichlorophenyl)-1-(methylamino)propan-2-ol
CID 116957715
1-(3-chloro-4-ethoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948719
3-(3,4-dichlorophenyl)-3-fluoro-2-methylpropan-1-amine
CID 130604698
1-(3,4-dichlorophenyl)-N,2,2-trimethylpropane-1,3-diamine
CID 116949072
1-(3-fluoro-4-methoxyphenyl)-N,2-dimethylpropane-1,3-diamine
CID 116948678
1-(3,4-dichlorophenyl)-N,N-dimethylethane-1,2-diamine
CID 16789744
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
1-(3,4-dichlorophenyl)-N,3-dimethylbutan-1-amine
CID 43486511
1-(3,4-dichlorophenyl)-2-ethyl-N-methylhexan-1-amine
CID 43486466
(3,4-dichlorophenyl)-(methylamino)methanethiol
CID 116954570
1-(3,4-dihydro-2H-thiochromen-6-yl)-N,2-dimethylpropane-1,3-diamine
CID 116948767
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine (CID 116948774) is 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine is CNC(c1ccc(Cl)c(Cl)c1)C(C)CN.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine?
The InChIKey is MDCAVXGAFQGROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-7(6-14)11(15-2)8-3-4-9(12)10(13)5-8/h3-5,7,11,15H,6,14H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine?
1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine has a molecular weight of 247.17 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 116948774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).