[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol

C15H23NO3 — CID 79640484

IUPAC[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol
SMILESCCOc1cccc(OC2CCCC(N)(CO)C2)c1
InChIInChI=1S/C15H23NO3/c1-2-18-12-5-3-6-13(9-12)19-14-7-4-8-15(16,10-14)11-17/h3,5-6,9,14,17H,2,4,7-8,10-11,16H2,1H3
InChIKeyHREOZMPITXONPB-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.10
Rot. Bonds5

About [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol

[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol (PubChem CID 79640484) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol
PubChem CID79640484
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol
SMILESCCOc1cccc(OC2CCCC(N)(CO)C2)c1
InChIInChI=1S/C15H23NO3/c1-2-18-12-5-3-6-13(9-12)19-14-7-4-8-15(16,10-14)11-17/h3,5-6,9,14,17H,2,4,7-8,10-11,16H2,1H3
InChIKeyHREOZMPITXONPB-UHFFFAOYSA-N
XLogP2.10
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-3-(4-butan-2-ylphenoxy)cyclohexyl]methanol
CID 107669171
[1-amino-3-(2-butan-2-ylphenoxy)cyclohexyl]methanol
CID 79641071
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79648163
6-(3-ethoxyphenoxy)-2,2-dimethylcyclohexan-1-ol
CID 79847470
(1-amino-3-quinolin-8-yloxycyclohexyl)methanol
CID 79640420
3-(3-ethoxyphenoxy)-N-ethylcyclohexan-1-amine
CID 79618027
3-(3-ethoxyphenoxy)-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79650285
[1-amino-3-(4-tert-butylphenoxy)cyclopentyl]methanol
CID 79647808
1-amino-3-(3-tert-butylphenoxy)cyclohexane-1-carboxylic acid
CID 79635261
3-(3-ethoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79632551
[1-amino-3-(4-fluorophenoxy)cyclopentyl]methanol
CID 79647593
1-amino-3-[3-(hydroxymethyl)phenoxy]cyclohexane-1-carboxamide
CID 79637537

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol?
The IUPAC name of [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol (CID 79640484) is [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol is CCOc1cccc(OC2CCCC(N)(CO)C2)c1.
What is the InChIKey of [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol?
The InChIKey is HREOZMPITXONPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-18-12-5-3-6-13(9-12)19-14-7-4-8-15(16,10-14)11-17/h3,5-6,9,14,17H,2,4,7-8,10-11,16H2,1H3.
What are the key properties of [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol?
[1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol has a molecular weight of 265.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(3-ethoxyphenoxy)cyclohexyl]methanol is sourced from PubChem (CID 79640484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).