2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine

C17H26ClNO — CID 63500202

IUPAC2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Oc1ccc(C)cc1Cl
InChIInChI=1S/C17H26ClNO/c1-4-13-7-8-15(19-5-2)17(11-13)20-16-9-6-12(3)10-14(16)18/h6,9-10,13,15,17,19H,4-5,7-8,11H2,1-3H3
InChIKeyJIBZFDHAVIOQTL-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.58
Rot. Bonds5

About 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine

2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine (PubChem CID 63500202) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
PubChem CID63500202
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1Oc1ccc(C)cc1Cl
InChIInChI=1S/C17H26ClNO/c1-4-13-7-8-15(19-5-2)17(11-13)20-16-9-6-12(3)10-14(16)18/h6,9-10,13,15,17,19H,4-5,7-8,11H2,1-3H3
InChIKeyJIBZFDHAVIOQTL-UHFFFAOYSA-N
XLogP4.58
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 ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-methylphenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63500386
2-(2,4-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63473606
2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63475594
2-(2-chlorophenoxy)-N-ethyl-4-propylcyclohexan-1-amine
CID 63499642
2-(2,3-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63036050
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
2-(3,5-difluorophenoxy)-N,4-diethylcyclohexan-1-amine
CID 63499477
6-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79834544
4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
CID 64856159
3-(2-chloro-4-methylphenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66350697
2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 63500371
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine (CID 63500202) is 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine is CCNC1CCC(CC)CC1Oc1ccc(C)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine?
The InChIKey is JIBZFDHAVIOQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-4-13-7-8-15(19-5-2)17(11-13)20-16-9-6-12(3)10-14(16)18/h6,9-10,13,15,17,19H,4-5,7-8,11H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine?
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine is sourced from PubChem (CID 63500202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).