4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine

C11H16Cl2N2O — CID 104758809

IUPAC4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
SMILESCOC(C)(C)CNc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C11H16Cl2N2O/c1-11(2,16-3)6-15-10-5-8(13)7(12)4-9(10)14/h4-5,15H,6,14H2,1-3H3
InChIKeyCCNAQDJDHLMZKI-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.41
Rot. Bonds4

About 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine

4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine (PubChem CID 104758809) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
PubChem CID104758809
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC Name4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
SMILESCOC(C)(C)CNc1cc(Cl)c(Cl)cc1N
InChIInChI=1S/C11H16Cl2N2O/c1-11(2,16-3)6-15-10-5-8(13)7(12)4-9(10)14/h4-5,15H,6,14H2,1-3H3
InChIKeyCCNAQDJDHLMZKI-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
CID 104758804
3-amino-4-[(2-methoxy-2-methylpropyl)amino]benzenesulfonamide
CID 113449899
4,5-dichloro-2-N-(2,3,3-trimethylbutyl)benzene-1,2-diamine
CID 83142233
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
CID 114514955
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
4-(2-amino-4,5-dichloroanilino)butan-1-ol
CID 101197853
4,5-dichloro-2-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzene-1,2-diamine
CID 107163015
5-amino-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104765046
4-chloro-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzene-1,2-diamine
CID 66076604
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine (CID 104758809) is 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine is COC(C)(C)CNc1cc(Cl)c(Cl)cc1N.
What is the InChIKey of 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine?
The InChIKey is CCNAQDJDHLMZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O/c1-11(2,16-3)6-15-10-5-8(13)7(12)4-9(10)14/h4-5,15H,6,14H2,1-3H3.
What are the key properties of 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine?
4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine has a molecular weight of 263.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 104758809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).