4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol

C13H19NO2 — CID 102809731

IUPAC4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
SMILESCOC1(CNCc2ccc(O)cc2)CCC1
InChIInChI=1S/C13H19NO2/c1-16-13(7-2-8-13)10-14-9-11-3-5-12(15)6-4-11/h3-6,14-15H,2,7-10H2,1H3
InChIKeyFCZULHKYXFDKND-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.05
Rot. Bonds5

About 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol

4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol (PubChem CID 102809731) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
PubChem CID102809731
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
SMILESCOC1(CNCc2ccc(O)cc2)CCC1
InChIInChI=1S/C13H19NO2/c1-16-13(7-2-8-13)10-14-9-11-3-5-12(15)6-4-11/h3-6,14-15H,2,7-10H2,1H3
InChIKeyFCZULHKYXFDKND-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-1-(4-phenylphenyl)methanamine
CID 103991761
N-[(1-methoxycyclobutyl)methyl]-1-pyridin-4-ylmethanamine
CID 103991879
N-[(1-methoxycyclobutyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 103991656
2-bromo-4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol
CID 114118923
N-[(1-methoxycyclobutyl)methyl]-1-naphthalen-2-ylmethanamine
CID 103991561
N-[(1-methoxycyclobutyl)methyl]-1-(6-methyl-3-pyridinyl)methanamine
CID 104756789
1-(3-fluoro-4-methylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991560
1-(3-chloro-4-fluorophenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991536
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 103991711
N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
4-[[(1-ethylcyclobutyl)amino]methyl]phenol
CID 115978684
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 113362738

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol?
The IUPAC name of 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol (CID 102809731) is 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol?
The canonical SMILES for 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol is COC1(CNCc2ccc(O)cc2)CCC1.
What is the InChIKey of 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol?
The InChIKey is FCZULHKYXFDKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13(7-2-8-13)10-14-9-11-3-5-12(15)6-4-11/h3-6,14-15H,2,7-10H2,1H3.
What are the key properties of 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol?
4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methoxycyclobutyl)methylamino]methyl]phenol is sourced from PubChem (CID 102809731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).