2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline

C16H24ClNO2 — CID 43712363

IUPAC2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
SMILESCOc1cc(Cl)c(NC2C(C)CCCC2C)cc1OC
InChIInChI=1S/C16H24ClNO2/c1-10-6-5-7-11(2)16(10)18-13-9-15(20-4)14(19-3)8-12(13)17/h8-11,16,18H,5-7H2,1-4H3
InChIKeyOJBWEEPOSWSDSZ-UHFFFAOYSA-N
MW297.83 g/mol
LogP4.59
Rot. Bonds4

About 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline

2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline (PubChem CID 43712363) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
PubChem CID43712363
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline
SMILESCOc1cc(Cl)c(NC2C(C)CCCC2C)cc1OC
InChIInChI=1S/C16H24ClNO2/c1-10-6-5-7-11(2)16(10)18-13-9-15(20-4)14(19-3)8-12(13)17/h8-11,16,18H,5-7H2,1-4H3
InChIKeyOJBWEEPOSWSDSZ-UHFFFAOYSA-N
XLogP4.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline?
The IUPAC name of 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline (CID 43712363) is 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline?
The canonical SMILES for 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline is COc1cc(Cl)c(NC2C(C)CCCC2C)cc1OC.
What is the InChIKey of 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline?
The InChIKey is OJBWEEPOSWSDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10-6-5-7-11(2)16(10)18-13-9-15(20-4)14(19-3)8-12(13)17/h8-11,16,18H,5-7H2,1-4H3.
What are the key properties of 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline?
2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline has a molecular weight of 297.83 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylcyclohexyl)-4,5-dimethoxyaniline is sourced from PubChem (CID 43712363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).