2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol

C14H21NO3 — CID 115005110

IUPAC2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol
SMILESCNCC(O)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C14H21NO3/c1-15-10-14(16)11-3-2-4-13(9-11)18-12-5-7-17-8-6-12/h2-4,9,12,14-16H,5-8,10H2,1H3
InChIKeyNKVXNLLIAQOIBD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.50
Rot. Bonds5

About 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol

2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol (PubChem CID 115005110) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol
PubChem CID115005110
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol
SMILESCNCC(O)c1cccc(OC2CCOCC2)c1
InChIInChI=1S/C14H21NO3/c1-15-10-14(16)11-3-2-4-13(9-11)18-12-5-7-17-8-6-12/h2-4,9,12,14-16H,5-8,10H2,1H3
InChIKeyNKVXNLLIAQOIBD-UHFFFAOYSA-N
XLogP1.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 78955112
1-[3-(oxan-4-yloxy)phenyl]ethanol
CID 63935830
4-(3-propan-2-ylphenoxy)oxane
CID 126724587
2-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 115005001
1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 115838526
3-amino-3-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 117417180
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)ethanol
CID 114521316
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
1-(3-cyclopropyloxyphenyl)-4-ethoxybutan-1-ol
CID 105131562
4-amino-4-[3-(oxan-4-yloxy)phenyl]butanoic acid
CID 117447899
2-amino-1-(3-cyclohexyloxyphenyl)ethanol
CID 83824323
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol?
The IUPAC name of 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol (CID 115005110) is 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol.
What is the SMILES notation for 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol?
The canonical SMILES for 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol is CNCC(O)c1cccc(OC2CCOCC2)c1.
What is the InChIKey of 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol?
The InChIKey is NKVXNLLIAQOIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-15-10-14(16)11-3-2-4-13(9-11)18-12-5-7-17-8-6-12/h2-4,9,12,14-16H,5-8,10H2,1H3.
What are the key properties of 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol?
2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(oxan-4-yloxy)phenyl]ethanol is sourced from PubChem (CID 115005110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).