3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline

C16H24ClNO — CID 70633029

IUPAC3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline
SMILESCCN(c1cccc(Cl)c1)C(C)OC1CCCCC1
InChIInChI=1S/C16H24ClNO/c1-3-18(15-9-7-8-14(17)12-15)13(2)19-16-10-5-4-6-11-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3
InChIKeyMDLMZTUNBJUBTB-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.86
Rot. Bonds5

About 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline

3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline (PubChem CID 70633029) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline.

Molecular Properties

Compound Name3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline
PubChem CID70633029
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline
SMILESCCN(c1cccc(Cl)c1)C(C)OC1CCCCC1
InChIInChI=1S/C16H24ClNO/c1-3-18(15-9-7-8-14(17)12-15)13(2)19-16-10-5-4-6-11-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3
InChIKeyMDLMZTUNBJUBTB-UHFFFAOYSA-N
XLogP4.86
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline 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 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline?
The IUPAC name of 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline (CID 70633029) is 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline.
What is the SMILES notation for 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline?
The canonical SMILES for 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline is CCN(c1cccc(Cl)c1)C(C)OC1CCCCC1.
What is the InChIKey of 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline?
The InChIKey is MDLMZTUNBJUBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-3-18(15-9-7-8-14(17)12-15)13(2)19-16-10-5-4-6-11-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3.
What are the key properties of 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline?
3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline has a molecular weight of 281.83 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-cyclohexyloxyethyl)-N-ethylaniline is sourced from PubChem (CID 70633029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).