2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine

C11H14Cl2N2 — CID 106890772

IUPAC2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine
SMILESCC1CC(Nc2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C11H14Cl2N2/c1-6-2-8(3-6)15-11-9(12)4-7(14)5-10(11)13/h4-6,8,15H,2-3,14H2,1H3
InChIKeyYPABIUVGFAIGAA-UHFFFAOYSA-N
MW245.15 g/mol
LogP3.79
Rot. Bonds2

About 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine

2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine (PubChem CID 106890772) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine
PubChem CID106890772
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine
SMILESCC1CC(Nc2c(Cl)cc(N)cc2Cl)C1
InChIInChI=1S/C11H14Cl2N2/c1-6-2-8(3-6)15-11-9(12)4-7(14)5-10(11)13/h4-6,8,15H,2-3,14H2,1H3
InChIKeyYPABIUVGFAIGAA-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 53.79
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

2-chloro-4,6-difluoro-N-(3-methylcyclobutyl)aniline
CID 103562281
5-chloro-6-fluoro-1-N-(3-methylcyclobutyl)benzene-1,2,4-triamine
CID 103553462
5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzamide
CID 107196901
2-chloro-6-fluoro-N-(3-methylcyclobutyl)aniline
CID 103562415
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
2-chloro-1-N-cyclohexyl-6-methoxybenzene-1,4-diamine
CID 50879419
2-bromo-6-chloro-1-N-cyclohexylbenzene-1,4-diamine
CID 50879510
2,6-dichloro-1-N-(1-cyclopropylpyrrolidin-3-yl)benzene-1,4-diamine
CID 106890228
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
CID 64732658
ethyl 5-amino-3-chloro-2-[(4-methylcyclohexyl)amino]benzoate
CID 107193471
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine (CID 106890772) is 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine is CC1CC(Nc2c(Cl)cc(N)cc2Cl)C1.
What is the InChIKey of 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine?
The InChIKey is YPABIUVGFAIGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2/c1-6-2-8(3-6)15-11-9(12)4-7(14)5-10(11)13/h4-6,8,15H,2-3,14H2,1H3.
What are the key properties of 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine?
2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine has a molecular weight of 245.15 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(3-methylcyclobutyl)benzene-1,4-diamine is sourced from PubChem (CID 106890772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).