2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol

C15H23NO2 — CID 78947415

IUPAC2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
SMILESCc1ccc([C@H](C)N)c(OC2CCCCC2O)c1
InChIInChI=1S/C15H23NO2/c1-10-7-8-12(11(2)16)15(9-10)18-14-6-4-3-5-13(14)17/h7-9,11,13-14,17H,3-6,16H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyUMYXOHXUNKARAD-XGNXJENSSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds3

About 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol (PubChem CID 78947415) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
PubChem CID78947415
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
SMILESCc1ccc([C@H](C)N)c(OC2CCCCC2O)c1
InChIInChI=1S/C15H23NO2/c1-10-7-8-12(11(2)16)15(9-10)18-14-6-4-3-5-13(14)17/h7-9,11,13-14,17H,3-6,16H2,1-2H3/t11-,13?,14?/m0/s1
InChIKeyUMYXOHXUNKARAD-XGNXJENSSA-N
XLogP2.70
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051
(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
CID 78953333
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
2-[2-[(1S)-1-aminoethyl]phenoxy]cyclopentan-1-ol
CID 78936328
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
2-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]cyclopentan-1-ol
CID 63367803
(1R)-1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanamine
CID 63650863
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-1-methylcyclopentan-1-ol
CID 112745865
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanamine
CID 63935405
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
2-(3-methyl-4-propan-2-ylphenoxy)cycloheptan-1-ol
CID 63472880

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol (CID 78947415) is 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol is Cc1ccc([C@H](C)N)c(OC2CCCCC2O)c1.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol?
The InChIKey is UMYXOHXUNKARAD-XGNXJENSSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10-7-8-12(11(2)16)15(9-10)18-14-6-4-3-5-13(14)17/h7-9,11,13-14,17H,3-6,16H2,1-2H3/t11-,13?,14?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol?
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol has a molecular weight of 249.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol is sourced from PubChem (CID 78947415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).