[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol

C17H27NO2 — CID 64850786

IUPAC[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
SMILESCC(C)COC1CC(Nc2cccc(CO)c2)C1(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)11-20-16-9-15(17(16,3)4)18-14-7-5-6-13(8-14)10-19/h5-8,12,15-16,18-19H,9-11H2,1-4H3
InChIKeyMXXHDTHMRHPYGJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.43
Rot. Bonds6

About [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol

[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol (PubChem CID 64850786) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
PubChem CID64850786
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol
SMILESCC(C)COC1CC(Nc2cccc(CO)c2)C1(C)C
InChIInChI=1S/C17H27NO2/c1-12(2)11-20-16-9-15(17(16,3)4)18-14-7-5-6-13(8-14)10-19/h5-8,12,15-16,18-19H,9-11H2,1-4H3
InChIKeyMXXHDTHMRHPYGJ-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-4-fluoro-3-methylaniline
CID 64851194
2,6-dichloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 65469345
4-bromo-3-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 107619177
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-fluoroaniline
CID 64851379
4-chloro-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-3-methoxyaniline
CID 107621176
4-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]benzoic acid
CID 64852146
N-[3-[2-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421664
[3-[(2,2-dimethylcyclopentyl)amino]phenyl]methanol
CID 79859836
2-[[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]methyl]phenol
CID 115642851
2,2-dimethyl-3-(2-methylpropoxy)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 64851968
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-2-fluoroaniline
CID 64851558
2,4,6-tribromo-N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]aniline
CID 64851754

Frequently Asked Questions

What is the IUPAC name of [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol?
The IUPAC name of [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol (CID 64850786) is [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol?
The canonical SMILES for [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol is CC(C)COC1CC(Nc2cccc(CO)c2)C1(C)C.
What is the InChIKey of [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol?
The InChIKey is MXXHDTHMRHPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)11-20-16-9-15(17(16,3)4)18-14-7-5-6-13(8-14)10-19/h5-8,12,15-16,18-19H,9-11H2,1-4H3.
What are the key properties of [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol?
[3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]amino]phenyl]methanol is sourced from PubChem (CID 64850786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).