4-chloro-2-(cyclohexyliminomethyl)aniline

C13H17ClN2 — CID 71444864

IUPAC4-chloro-2-(cyclohexyliminomethyl)aniline
SMILESNc1ccc(Cl)cc1/C=N/C1CCCCC1
InChIInChI=1S/C13H17ClN2/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h6-9,12H,1-5,15H2/b16-9+
InChIKeyDICBCDRQYCDSDU-CXUHLZMHSA-N
MW236.75 g/mol
LogP3.67
Rot. Bonds2

About 4-chloro-2-(cyclohexyliminomethyl)aniline

4-chloro-2-(cyclohexyliminomethyl)aniline (PubChem CID 71444864) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 4-chloro-2-(cyclohexyliminomethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(cyclohexyliminomethyl)aniline
PubChem CID71444864
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name4-chloro-2-(cyclohexyliminomethyl)aniline
SMILESNc1ccc(Cl)cc1/C=N/C1CCCCC1
InChIInChI=1S/C13H17ClN2/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h6-9,12H,1-5,15H2/b16-9+
InChIKeyDICBCDRQYCDSDU-CXUHLZMHSA-N
XLogP3.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclohexyliminomethyl)aniline?
The IUPAC name of 4-chloro-2-(cyclohexyliminomethyl)aniline (CID 71444864) is 4-chloro-2-(cyclohexyliminomethyl)aniline.
What is the SMILES notation for 4-chloro-2-(cyclohexyliminomethyl)aniline?
The canonical SMILES for 4-chloro-2-(cyclohexyliminomethyl)aniline is Nc1ccc(Cl)cc1/C=N/C1CCCCC1.
What is the InChIKey of 4-chloro-2-(cyclohexyliminomethyl)aniline?
The InChIKey is DICBCDRQYCDSDU-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H17ClN2/c14-11-6-7-13(15)10(8-11)9-16-12-4-2-1-3-5-12/h6-9,12H,1-5,15H2/b16-9+.
What are the key properties of 4-chloro-2-(cyclohexyliminomethyl)aniline?
4-chloro-2-(cyclohexyliminomethyl)aniline has a molecular weight of 236.75 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclohexyliminomethyl)aniline is sourced from PubChem (CID 71444864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).