4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine

C13H20Cl2N2 — CID 83142233

IUPAC4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
SMILESCC(CNc1cc(Cl)c(Cl)cc1N)C(C)(C)C
InChIInChI=1S/C13H20Cl2N2/c1-8(13(2,3)4)7-17-12-6-10(15)9(14)5-11(12)16/h5-6,8,17H,7,16H2,1-4H3
InChIKeyAPZDAXSNWLIEHI-UHFFFAOYSA-N
MW275.22 g/mol
LogP4.67
Rot. Bonds3

About 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine

4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine (PubChem CID 83142233) has the molecular formula C13H20Cl2N2 and a molecular weight of 275.22 g/mol. Its IUPAC name is 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
PubChem CID83142233
Molecular FormulaC13H20Cl2N2
Molecular Weight275.22 g/mol
Exact Mass274.10
IUPAC Name4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
SMILESCC(CNc1cc(Cl)c(Cl)cc1N)C(C)(C)C
InChIInChI=1S/C13H20Cl2N2/c1-8(13(2,3)4)7-17-12-6-10(15)9(14)5-11(12)16/h5-6,8,17H,7,16H2,1-4H3
InChIKeyAPZDAXSNWLIEHI-UHFFFAOYSA-N
XLogP4.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 104834817
3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine
CID 83143505
4-(trifluoromethyl)-1-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142987
3-chloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142997
2-chloro-5-nitro-N-(2,3,3-trimethylbutyl)aniline
CID 114270475
4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
4-methyl-1-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142252
3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 102751738
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
methyl 2-amino-4-fluoro-5-(2,3,3-trimethylbutylamino)benzoate
CID 83146930
3-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142103
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine (CID 83142233) is 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine is CC(CNc1cc(Cl)c(Cl)cc1N)C(C)(C)C.
What is the InChIKey of 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine?
The InChIKey is APZDAXSNWLIEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2/c1-8(13(2,3)4)7-17-12-6-10(15)9(14)5-11(12)16/h5-6,8,17H,7,16H2,1-4H3.
What are the key properties of 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine?
4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine has a molecular weight of 275.22 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine is sourced from PubChem (CID 83142233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).