1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol

C16H25NO2 — CID 106941019

IUPAC1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol
SMILESCNC1CCCCC1OCC(C)(O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-16(18,13-8-4-3-5-9-13)12-19-15-11-7-6-10-14(15)17-2/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3
InChIKeyDKZNTUFHEWBVAX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds5

About 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol

1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol (PubChem CID 106941019) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol
PubChem CID106941019
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol
SMILESCNC1CCCCC1OCC(C)(O)c1ccccc1
InChIInChI=1S/C16H25NO2/c1-16(18,13-8-4-3-5-9-13)12-19-15-11-7-6-10-14(15)17-2/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3
InChIKeyDKZNTUFHEWBVAX-UHFFFAOYSA-N
XLogP2.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23064
(R)-1-((S)-morpholin-2-yl)-1,2-diphenylethanol
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2-[(4-Methylcyclohexyl)amino]-1-phenylethanol
CID 3567758
(R)-2-biphenyl-2-yl-1-(S)-morpholin-2-yl-1-phenyl-ethanol
CID 44410241
(-)-Ephedrinium
CID 6922965
2-[1-(4-Ethylphenyl)propan-2-ylamino]-1-phenylethanol;hydrate
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(R)-2-((3S,6S)-6-Benzhydryltetrahydro-2Hpyran-3-ylamino)-1-phenylethanol
CID 52951605
(S)-2-((3S,6S)-6-Benzhydryltetrahydro-2H-pyran-3-ylamino)-1-phenylethanol
CID 52951715
7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diol
CID 155511876
2-({1-[Hydroxy(phenyl)methyl]butyl}amino)-1-phenyl-1-pentanol
CID 1726485
3-Morpholineethanol, alpha-phenyl-
CID 71756244
(1S,2R)-(+)-ephedrine
CID 6922967

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol?
The IUPAC name of 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol (CID 106941019) is 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol?
The canonical SMILES for 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol is CNC1CCCCC1OCC(C)(O)c1ccccc1.
What is the InChIKey of 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol?
The InChIKey is DKZNTUFHEWBVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(18,13-8-4-3-5-9-13)12-19-15-11-7-6-10-14(15)17-2/h3-5,8-9,14-15,17-18H,6-7,10-12H2,1-2H3.
What are the key properties of 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol?
1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)cyclohexyl]oxy-2-phenylpropan-2-ol is sourced from PubChem (CID 106941019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).