2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine

C13H19ClN2 — CID 104860241

IUPAC2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
SMILESCC1CC(Nc2ccc(N(C)C)c(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-9-6-11(7-9)15-10-4-5-13(16(2)3)12(14)8-10/h4-5,8-9,11,15H,6-7H2,1-3H3
InChIKeyVICOJRYAQFTJCX-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.62
Rot. Bonds3

About 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine

2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine (PubChem CID 104860241) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
PubChem CID104860241
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine
SMILESCC1CC(Nc2ccc(N(C)C)c(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-9-6-11(7-9)15-10-4-5-13(16(2)3)12(14)8-10/h4-5,8-9,11,15H,6-7H2,1-3H3
InChIKeyVICOJRYAQFTJCX-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine (CID 104860241) is 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine is CC1CC(Nc2ccc(N(C)C)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine?
The InChIKey is VICOJRYAQFTJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-9-6-11(7-9)15-10-4-5-13(16(2)3)12(14)8-10/h4-5,8-9,11,15H,6-7H2,1-3H3.
What are the key properties of 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine?
2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine has a molecular weight of 238.76 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N,1-N-dimethyl-4-N-(3-methylcyclobutyl)benzene-1,4-diamine is sourced from PubChem (CID 104860241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).