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

C10H15ClN2 — CID 79093670

IUPAC1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1cccc(Cl)c1
InChIInChI=1S/C10H15ClN2/c1-13(2)7-10(12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3
InChIKeyJQIGTMFKFVAIFZ-UHFFFAOYSA-N
MW198.70 g/mol
LogP1.90
Rot. Bonds3

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

1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 79093670) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID79093670
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CC(N)c1cccc(Cl)c1
InChIInChI=1S/C10H15ClN2/c1-13(2)7-10(12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3
InChIKeyJQIGTMFKFVAIFZ-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
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1-(3-chlorophenyl)decan-1-amine
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1-(3-chlorophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
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(1R)-1-(3-chlorophenyl)but-3-en-1-amine
CID 12984122
1-(3-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-2-ol;hydrochloride
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(1S)-1-(3-chlorophenyl)-3-methylbut-3-en-1-amine;hydrochloride
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CID 62630754

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine (CID 79093670) is 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CC(N)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is JQIGTMFKFVAIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-13(2)7-10(12)8-4-3-5-9(11)6-8/h3-6,10H,7,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine?
1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 198.70 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79093670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).