N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine

C17H26ClNO — CID 63516082

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
SMILESCc1cc(OCCNC2CCCCC2C)cc(C)c1Cl
InChIInChI=1S/C17H26ClNO/c1-12-6-4-5-7-16(12)19-8-9-20-15-10-13(2)17(18)14(3)11-15/h10-12,16,19H,4-9H2,1-3H3
InChIKeyHMDATQRCDXCOFM-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.50
Rot. Bonds5

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine (PubChem CID 63516082) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
PubChem CID63516082
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
SMILESCc1cc(OCCNC2CCCCC2C)cc(C)c1Cl
InChIInChI=1S/C17H26ClNO/c1-12-6-4-5-7-16(12)19-8-9-20-15-10-13(2)17(18)14(3)11-15/h10-12,16,19H,4-9H2,1-3H3
InChIKeyHMDATQRCDXCOFM-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63506543
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 63506584
N,N-dimethyl-3-[2-[(2-methylcyclohexyl)amino]ethoxy]aniline
CID 62585348
N-[2-(3,4-dimethylphenoxy)ethyl]cycloheptanamine
CID 63504448
N-[2-(5-bromo-2-fluorophenoxy)ethyl]-2-methylcyclohexan-1-amine
CID 114677037
2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cycloheptan-1-amine
CID 112589213
N-(2-ethoxyethyl)-2-methylcyclopentan-1-amine
CID 63278014
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]oxolane-2-carboxamide
CID 113103038
(1S,2S,3R)-N-[2-(2,4-dimethylphenoxy)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 11905311
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 18838026
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112977193
N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63504887

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine (CID 63516082) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine is Cc1cc(OCCNC2CCCCC2C)cc(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine?
The InChIKey is HMDATQRCDXCOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-12-6-4-5-7-16(12)19-8-9-20-15-10-13(2)17(18)14(3)11-15/h10-12,16,19H,4-9H2,1-3H3.
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 63516082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).