6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine

C17H26ClNO — CID 79834544

IUPAC6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Oc2ccc(C)cc2Cl)CCCC1(C)C
InChIInChI=1S/C17H26ClNO/c1-5-19-16-15(7-6-10-17(16,3)4)20-14-9-8-12(2)11-13(14)18/h8-9,11,15-16,19H,5-7,10H2,1-4H3
InChIKeyXPSNRLYCISCADT-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.58
Rot. Bonds4

About 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79834544) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79834544
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Oc2ccc(C)cc2Cl)CCCC1(C)C
InChIInChI=1S/C17H26ClNO/c1-5-19-16-15(7-6-10-17(16,3)4)20-14-9-8-12(2)11-13(14)18/h8-9,11,15-16,19H,5-7,10H2,1-4H3
InChIKeyXPSNRLYCISCADT-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79836744
6-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79836581
6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79837054
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66350697
N-ethyl-6-(3-fluorophenoxy)-2,2-dimethylcyclohexan-1-amine
CID 79837063
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
5-(3,4-dimethylphenoxy)-N-ethyl-2,2-dimethylcyclopentan-1-amine
CID 79860446
2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63500386
6-(5-chloro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79836411
5-(2,5-dimethylphenoxy)-N,2,2-trimethylcyclopentan-1-amine
CID 79860197
6-(2,4-dimethylphenoxy)-2,2-dimethylcyclohexan-1-ol
CID 79847464

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 79834544) is 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(Oc2ccc(C)cc2Cl)CCCC1(C)C.
What is the InChIKey of 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is XPSNRLYCISCADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-5-19-16-15(7-6-10-17(16,3)4)20-14-9-8-12(2)11-13(14)18/h8-9,11,15-16,19H,5-7,10H2,1-4H3.
What are the key properties of 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79834544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).