2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol

C15H23NO2 — CID 103741124

IUPAC2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
SMILESCCC1(CNCc2cccc(OC)c2O)CCC1
InChIInChI=1S/C15H23NO2/c1-3-15(8-5-9-15)11-16-10-12-6-4-7-13(18-2)14(12)17/h4,6-7,16-17H,3,5,8-11H2,1-2H3
InChIKeyYUUDRFQVIBJWKB-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.07
Rot. Bonds6

About 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol

2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol (PubChem CID 103741124) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
PubChem CID103741124
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol
SMILESCCC1(CNCc2cccc(OC)c2O)CCC1
InChIInChI=1S/C15H23NO2/c1-3-15(8-5-9-15)11-16-10-12-6-4-7-13(18-2)14(12)17/h4,6-7,16-17H,3,5,8-11H2,1-2H3
InChIKeyYUUDRFQVIBJWKB-UHFFFAOYSA-N
XLogP3.07
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-6-methoxyphenol
CID 114750189
3-[[(1-ethylcyclobutyl)methylamino]methyl]benzene-1,2-diol
CID 103953663
2-bromo-6-[[(1-ethylcyclopropyl)methylamino]methyl]phenol
CID 103735468
[1-[[(2-methoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358929
2-methoxy-6-[[(1-methylcyclopropyl)amino]methyl]phenol
CID 115635052
3-[[(2-hydroxy-3-methoxyphenyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268212
2-ethoxy-6-[[(1-hydroxycyclopentyl)methylamino]methyl]phenol
CID 63933499
1-(2-chloro-3,4-dimethoxyphenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 103741168
1-(2-ethoxyphenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735607
2-[[(1-ethylcyclopentyl)methylamino]methyl]-4-fluorophenol
CID 103949020
1-(2-chloro-3-fluorophenyl)-N-[(1-ethylcyclobutyl)methyl]methanamine
CID 114108020
2-[(2,3-dimethylbutylamino)methyl]-6-methoxyphenol
CID 64569461

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol (CID 103741124) is 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol is CCC1(CNCc2cccc(OC)c2O)CCC1.
What is the InChIKey of 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol?
The InChIKey is YUUDRFQVIBJWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-15(8-5-9-15)11-16-10-12-6-4-7-13(18-2)14(12)17/h4,6-7,16-17H,3,5,8-11H2,1-2H3.
What are the key properties of 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol?
2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol has a molecular weight of 249.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-ethylcyclobutyl)methylamino]methyl]-6-methoxyphenol is sourced from PubChem (CID 103741124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).