1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol

C15H23NO2 — CID 79004891

IUPAC1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESC[C@@H](N)c1ccc(OCC2(O)CCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-12(16)13-5-7-14(8-6-13)18-11-15(17)9-3-2-4-10-15/h5-8,12,17H,2-4,9-11,16H2,1H3/t12-/m1/s1
InChIKeyYKTQDOAFXXGVMA-GFCCVEGCSA-N
MW249.35 g/mol
LogP2.78
Rot. Bonds4

About 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol

1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol (PubChem CID 79004891) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
PubChem CID79004891
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
SMILESC[C@@H](N)c1ccc(OCC2(O)CCCCC2)cc1
InChIInChI=1S/C15H23NO2/c1-12(16)13-5-7-14(8-6-13)18-11-15(17)9-3-2-4-10-15/h5-8,12,17H,2-4,9-11,16H2,1H3/t12-/m1/s1
InChIKeyYKTQDOAFXXGVMA-GFCCVEGCSA-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

Analyze 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-[[4-[(1S)-1-aminoethyl]-2-methylphenoxy]methyl]cyclopentan-1-ol
CID 113386912
1-[[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]methyl]cyclohexan-1-ol
CID 79004884
2-[1-[[4-[(1S)-1-aminoethyl]phenoxy]methyl]cyclopropyl]acetonitrile
CID 65480924
1-[[4-(3-hydroxybutyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213368
1-[[4-(1-aminoethyl)phenyl]sulfanylmethyl]cyclopentan-1-ol
CID 65212444
1-[[4-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208708
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
1-[[4-[2-(methylamino)propyl]phenoxy]methyl]cyclopentan-1-ol
CID 115494643
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
1-[2-amino-2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 57165649
1-[(4-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212692

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol (CID 79004891) is 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol is C[C@@H](N)c1ccc(OCC2(O)CCCCC2)cc1.
What is the InChIKey of 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol?
The InChIKey is YKTQDOAFXXGVMA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(16)13-5-7-14(8-6-13)18-11-15(17)9-3-2-4-10-15/h5-8,12,17H,2-4,9-11,16H2,1H3/t12-/m1/s1.
What are the key properties of 1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol?
1-[[4-[(1R)-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-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol is sourced from PubChem (CID 79004891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).