1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol

C17H27NO2 — CID 65208482

IUPAC1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCCNC(C)c1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-3-18-14(2)15-8-7-9-16(12-15)20-13-17(19)10-5-4-6-11-17/h7-9,12,14,18-19H,3-6,10-11,13H2,1-2H3
InChIKeyMYTWCNDVQGDJCT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.43
Rot. Bonds6

About 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol

1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208482) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208482
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESCCNC(C)c1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C17H27NO2/c1-3-18-14(2)15-8-7-9-16(12-15)20-13-17(19)10-5-4-6-11-17/h7-9,12,14,18-19H,3-6,10-11,13H2,1-2H3
InChIKeyMYTWCNDVQGDJCT-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
N-ethyl-1-[3-(methoxymethoxy)phenyl]ethanamine
CID 65365407
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
(1R)-1-(3-butoxyphenyl)-N-ethylethanamine
CID 93007499
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510
N-(2-cyanoethyl)-2-[3-[1-(ethylamino)ethyl]phenoxy]acetamide
CID 60883645
2-[3-[1-(ethylamino)ethyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 61489519
1-[[3-(methylaminomethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208592
(1R)-1-(3-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007530

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol (CID 65208482) is 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol is CCNC(C)c1cccc(OCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is MYTWCNDVQGDJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-18-14(2)15-8-7-9-16(12-15)20-13-17(19)10-5-4-6-11-17/h7-9,12,14,18-19H,3-6,10-11,13H2,1-2H3.
What are the key properties of 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol?
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).