1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine

C11H17ClN2 — CID 62644628

IUPAC1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccccc1Cl
InChIInChI=1S/C11H17ClN2/c1-14(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11H,7-8,13H2,1-2H3
InChIKeyXULLKXZGTORSEB-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.29
Rot. Bonds4

About 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine

1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 62644628) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID62644628
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCC(N)c1ccccc1Cl
InChIInChI=1S/C11H17ClN2/c1-14(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11H,7-8,13H2,1-2H3
InChIKeyXULLKXZGTORSEB-UHFFFAOYSA-N
XLogP2.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 62644134
1-(2-chlorophenyl)-N'-[(2-chlorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 62644408
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
1-(2-chlorophenyl)-N',N'-bis(2-methoxyethyl)propane-1,3-diamine
CID 62642834
2-[[3-amino-3-(2-chlorophenyl)propyl]-ethylamino]ethanol
CID 62642938
1-(2-chlorophenyl)-N'-methyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62644997
1-(2-chlorophenyl)-N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82953010
1-(2-chlorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62642958
1-(2-chlorophenyl)-N'-(cyclopropylmethyl)-N'-ethylpropane-1,3-diamine
CID 63939293
1-(2-chlorophenyl)-N'-ethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643467
N',N'-dimethyl-1-phenylpropane-1,3-diamine
CID 25248080

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine (CID 62644628) is 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCC(N)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is XULLKXZGTORSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-14(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6,11H,7-8,13H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine?
1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 212.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 62644628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).