3-chloro-2-(4-methylcyclohexyl)oxyaniline

C13H18ClNO — CID 43187378

IUPAC3-chloro-2-(4-methylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2c(N)cccc2Cl)CC1
InChIInChI=1S/C13H18ClNO/c1-9-5-7-10(8-6-9)16-13-11(14)3-2-4-12(13)15/h2-4,9-10H,5-8,15H2,1H3
InChIKeyUIZJVFYSBWFKLY-UHFFFAOYSA-N
MW239.75 g/mol
LogP3.88
Rot. Bonds2

About 3-chloro-2-(4-methylcyclohexyl)oxyaniline

3-chloro-2-(4-methylcyclohexyl)oxyaniline (PubChem CID 43187378) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-2-(4-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name3-chloro-2-(4-methylcyclohexyl)oxyaniline
PubChem CID43187378
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name3-chloro-2-(4-methylcyclohexyl)oxyaniline
SMILESCC1CCC(Oc2c(N)cccc2Cl)CC1
InChIInChI=1S/C13H18ClNO/c1-9-5-7-10(8-6-9)16-13-11(14)3-2-4-12(13)15/h2-4,9-10H,5-8,15H2,1H3
InChIKeyUIZJVFYSBWFKLY-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4-methylcyclohexyl)oxyaniline?
The IUPAC name of 3-chloro-2-(4-methylcyclohexyl)oxyaniline (CID 43187378) is 3-chloro-2-(4-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 3-chloro-2-(4-methylcyclohexyl)oxyaniline?
The canonical SMILES for 3-chloro-2-(4-methylcyclohexyl)oxyaniline is CC1CCC(Oc2c(N)cccc2Cl)CC1.
What is the InChIKey of 3-chloro-2-(4-methylcyclohexyl)oxyaniline?
The InChIKey is UIZJVFYSBWFKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-9-5-7-10(8-6-9)16-13-11(14)3-2-4-12(13)15/h2-4,9-10H,5-8,15H2,1H3.
What are the key properties of 3-chloro-2-(4-methylcyclohexyl)oxyaniline?
3-chloro-2-(4-methylcyclohexyl)oxyaniline has a molecular weight of 239.75 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 43187378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).