[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol

C17H27NO2 — CID 107229736

IUPAC[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
SMILESCCOC1CC(NCc2cccc(CO)c2)C1(C)CC
InChIInChI=1S/C17H27NO2/c1-4-17(3)15(10-16(17)20-5-2)18-11-13-7-6-8-14(9-13)12-19/h6-9,15-16,18-19H,4-5,10-12H2,1-3H3
InChIKeyPSBLKTLOXDFFJS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.86
Rot. Bonds7

About [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol

[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol (PubChem CID 107229736) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
PubChem CID107229736
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
SMILESCCOC1CC(NCc2cccc(CO)c2)C1(C)CC
InChIInChI=1S/C17H27NO2/c1-4-17(3)15(10-16(17)20-5-2)18-11-13-7-6-8-14(9-13)12-19/h6-9,15-16,18-19H,4-5,10-12H2,1-3H3
InChIKeyPSBLKTLOXDFFJS-UHFFFAOYSA-N
XLogP2.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol (CID 107229736) is [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol is CCOC1CC(NCc2cccc(CO)c2)C1(C)CC.
What is the InChIKey of [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol?
The InChIKey is PSBLKTLOXDFFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-17(3)15(10-16(17)20-5-2)18-11-13-7-6-8-14(9-13)12-19/h6-9,15-16,18-19H,4-5,10-12H2,1-3H3.
What are the key properties of [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol?
[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107229736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).