5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol

C15H23NO2 — CID 113429442

IUPAC5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCC2(C)CCC2)c(O)c1
InChIInChI=1S/C15H23NO2/c1-11(16-10-15(2)7-4-8-15)13-6-5-12(18-3)9-14(13)17/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3
InChIKeyLUODODNPTZBDRF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.24
Rot. Bonds5

About 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol

5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol (PubChem CID 113429442) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
PubChem CID113429442
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCC2(C)CCC2)c(O)c1
InChIInChI=1S/C15H23NO2/c1-11(16-10-15(2)7-4-8-15)13-6-5-12(18-3)9-14(13)17/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3
InChIKeyLUODODNPTZBDRF-UHFFFAOYSA-N
XLogP3.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.24
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

5-methoxy-2-[1-[(4-methyloxan-4-yl)methylamino]ethyl]phenol
CID 104583357
2-[1-[(1,4-dimethylpiperidin-4-yl)methylamino]ethyl]-5-methoxyphenol
CID 104584163
5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
CID 104583453
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
4-methyl-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol
CID 104583343
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
1-(2-methoxy-5-methylphenyl)-N-[(1-methylcyclobutyl)methyl]ethanamine
CID 103903195
2-[1-[(2-hydroxycyclohexyl)methylamino]ethyl]-5-methoxyphenol
CID 64928670
2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240
5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol (CID 113429442) is 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol is COc1ccc(C(C)NCC2(C)CCC2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol?
The InChIKey is LUODODNPTZBDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(16-10-15(2)7-4-8-15)13-6-5-12(18-3)9-14(13)17/h5-6,9,11,16-17H,4,7-8,10H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol?
5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[(1-methylcyclobutyl)methylamino]ethyl]phenol is sourced from PubChem (CID 113429442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).