[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol

C17H27NO3 — CID 64851150

IUPAC[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
SMILESCCOc1ccc(NC2CC(OCC)C2(C)C)cc1CO
InChIInChI=1S/C17H27NO3/c1-5-20-14-8-7-13(9-12(14)11-19)18-15-10-16(21-6-2)17(15,3)4/h7-9,15-16,18-19H,5-6,10-11H2,1-4H3
InChIKeyMCTWCCZIEGRTBZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.19
Rot. Bonds7

About [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol

[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol (PubChem CID 64851150) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
PubChem CID64851150
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol
SMILESCCOc1ccc(NC2CC(OCC)C2(C)C)cc1CO
InChIInChI=1S/C17H27NO3/c1-5-20-14-8-7-13(9-12(14)11-19)18-15-10-16(21-6-2)17(15,3)4/h7-9,15-16,18-19H,5-6,10-11H2,1-4H3
InChIKeyMCTWCCZIEGRTBZ-UHFFFAOYSA-N
XLogP3.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-[(2,2-dimethylcyclopentyl)amino]-2-ethoxyphenyl]methanol
CID 79860686
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4-dimethylaniline
CID 64850915
2-[4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]ethanol
CID 64850757
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
CID 107678106
5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
CID 64853292
[2-ethoxy-5-[(3-methylcyclopentyl)amino]phenyl]methanol
CID 64500267
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 64850321
4-[4-ethoxy-3-(hydroxymethyl)anilino]cyclohexan-1-ol
CID 106594412
6-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)pyridin-3-amine
CID 114051597
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 64850745
[2-ethoxy-5-[(4-propan-2-ylcyclohexyl)amino]phenyl]methanol
CID 62708979
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3,4,5-trifluoroaniline
CID 64850764

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol (CID 64851150) is [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol is CCOc1ccc(NC2CC(OCC)C2(C)C)cc1CO.
What is the InChIKey of [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol?
The InChIKey is MCTWCCZIEGRTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-20-14-8-7-13(9-12(14)11-19)18-15-10-16(21-6-2)17(15,3)4/h7-9,15-16,18-19H,5-6,10-11H2,1-4H3.
What are the key properties of [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol?
[2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol has a molecular weight of 293.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenyl]methanol is sourced from PubChem (CID 64851150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).