1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol

C15H23NO2 — CID 65208420

IUPAC1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
SMILESCC(N)c1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-12(16)13-6-5-7-14(10-13)18-11-15(17)8-3-2-4-9-15/h5-7,10,12,17H,2-4,8-9,11,16H2,1H3
InChIKeyIPPZNNGCJRWHFC-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds4

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

1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol (PubChem CID 65208420) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
PubChem CID65208420
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
SMILESCC(N)c1cccc(OCC2(O)CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-12(16)13-6-5-7-14(10-13)18-11-15(17)8-3-2-4-9-15/h5-7,10,12,17H,2-4,8-9,11,16H2,1H3
InChIKeyIPPZNNGCJRWHFC-UHFFFAOYSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
1-[(3-methoxyphenoxy)methyl]cyclohexan-1-ol
CID 65213494
1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
CID 130373177
1-[(3-propoxyphenoxy)methyl]cyclohexan-1-ol
CID 69097328
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847
1-[[3-(3-amino-2-methylpropyl)phenoxy]methyl]cyclopentan-1-ol
CID 130373175
1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884
1-[(3-propoxyphenoxy)methyl]cyclopentan-1-ol
CID 69097510

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol (CID 65208420) is 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol is CC(N)c1cccc(OCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is IPPZNNGCJRWHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(16)13-6-5-7-14(10-13)18-11-15(17)8-3-2-4-9-15/h5-7,10,12,17H,2-4,8-9,11,16H2,1H3.
What are the key properties of 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol?
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).