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

C10H14Cl2N2 — CID 73013427

IUPAC1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-10(2,13)6-14-7-3-4-8(11)9(12)5-7/h3-5,14H,6,13H2,1-2H3
InChIKeyOJBQYQFASIQYLS-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.14
Rot. Bonds3

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

1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine (PubChem CID 73013427) has the molecular formula C10H14Cl2N2 and a molecular weight of 233.14 g/mol. Its IUPAC name is 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine
PubChem CID73013427
Molecular FormulaC10H14Cl2N2
Molecular Weight233.14 g/mol
Exact Mass232.05
IUPAC Name1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H14Cl2N2/c1-10(2,13)6-14-7-3-4-8(11)9(12)5-7/h3-5,14H,6,13H2,1-2H3
InChIKeyOJBQYQFASIQYLS-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-chloro-4-fluorophenyl)-2-methylpropane-1,2-diamine
CID 83705089
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611
N-(2-amino-2-methylpropyl)-3,4-dichlorobenzamide
CID 81483692
N-(2-tert-butylsulfonylethyl)-3,4-dichloroaniline
CID 106723040
1-(3,4-dichloroanilino)butan-2-one
CID 175330645
(3,4-dichlorophenyl)hydrazine;ethane
CID 143531721
tert-butyl 3-(3,4-dichloroanilino)propanoate
CID 66783246
methyl 2-bromo-3-(3,4-dichloroanilino)propanoate
CID 103233555
4-(3,4-dichloroanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061870
1-N-(3-bromo-4-methoxyphenyl)-2-methylpropane-1,2-diamine
CID 115135624
3,4-dichloro-N-(3-ethylsulfonylpropyl)aniline
CID 65093988
3,4-dichloro-N-methylaniline;formaldehyde
CID 153392117

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine (CID 73013427) is 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine is CC(C)(N)CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine?
The InChIKey is OJBQYQFASIQYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2/c1-10(2,13)6-14-7-3-4-8(11)9(12)5-7/h3-5,14H,6,13H2,1-2H3.
What are the key properties of 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine?
1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine has a molecular weight of 233.14 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 73013427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).