1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine

C11H15ClN2 — CID 80558984

IUPAC1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
SMILESCc1cc(Cl)ccc1NC1CC(N)C1
InChIInChI=1S/C11H15ClN2/c1-7-4-8(12)2-3-11(7)14-10-5-9(13)6-10/h2-4,9-10,14H,5-6,13H2,1H3
InChIKeyZBHSBYIJXNTBSB-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.55
Rot. Bonds2

About 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine

1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine (PubChem CID 80558984) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
PubChem CID80558984
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine
SMILESCc1cc(Cl)ccc1NC1CC(N)C1
InChIInChI=1S/C11H15ClN2/c1-7-4-8(12)2-3-11(7)14-10-5-9(13)6-10/h2-4,9-10,14H,5-6,13H2,1H3
InChIKeyZBHSBYIJXNTBSB-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine (CID 80558984) is 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine is Cc1cc(Cl)ccc1NC1CC(N)C1.
What is the InChIKey of 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine?
The InChIKey is ZBHSBYIJXNTBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-7-4-8(12)2-3-11(7)14-10-5-9(13)6-10/h2-4,9-10,14H,5-6,13H2,1H3.
What are the key properties of 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine?
1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine has a molecular weight of 210.71 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chloro-2-methylphenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80558984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).