2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine

C19H31NO — CID 24847310

IUPAC2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-3-20(4-2)15-16-21-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyDUPYCATWTCGHMB-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.67
Rot. Bonds8

About 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine

2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine (PubChem CID 24847310) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine
PubChem CID24847310
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine
SMILESCCN(CC)CCOC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H31NO/c1-3-20(4-2)15-16-21-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3
InChIKeyDUPYCATWTCGHMB-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[cyclohexyl(propoxy)methyl]benzene
CID 155279791
2-[(R)-cyclohexyl-(2-methylphenyl)methoxy]-N,N-diethylethanamine
CID 1203597
[cyclohexyl(cyclopropylmethoxy)methyl]benzene
CID 145412407
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792
[cyclohexyl(methylsulfanyloxy)methyl]benzene
CID 146296998
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
(1-cyclohexyl-3-methyl-2-phenylpentyl)hydrazine
CID 105282072
3-[(R)-ethoxy(phenyl)methyl]azetidine
CID 71516188

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine?
The IUPAC name of 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine (CID 24847310) is 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine is CCN(CC)CCOC(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine?
The InChIKey is DUPYCATWTCGHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-20(4-2)15-16-21-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3.
What are the key properties of 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine?
2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine has a molecular weight of 289.46 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(phenyl)methoxy]-N,N-diethylethanamine is sourced from PubChem (CID 24847310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).