2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol

C13H19NO2 — CID 104584456

IUPAC2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
SMILESCOC1CC(NC(C)c2ccccc2O)C1
InChIInChI=1S/C13H19NO2/c1-9(12-5-3-4-6-13(12)15)14-10-7-11(8-10)16-2/h3-6,9-11,14-15H,7-8H2,1-2H3
InChIKeyMZDIOWMOGVKEFV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.22
Rot. Bonds4

About 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol

2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol (PubChem CID 104584456) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol.

Molecular Properties

Compound Name2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
PubChem CID104584456
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol
SMILESCOC1CC(NC(C)c2ccccc2O)C1
InChIInChI=1S/C13H19NO2/c1-9(12-5-3-4-6-13(12)15)14-10-7-11(8-10)16-2/h3-6,9-11,14-15H,7-8H2,1-2H3
InChIKeyMZDIOWMOGVKEFV-UHFFFAOYSA-N
XLogP2.22
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.22
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-[(3-methoxycyclobutyl)amino]ethyl]naphthalen-1-ol
CID 104584465
5-methoxy-2-[1-[(3-methoxycyclopentyl)amino]ethyl]phenol
CID 103082952
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 113429585
2-[1-[(3-methoxycyclopentyl)amino]ethyl]naphthalen-1-ol
CID 103083012
4-methoxy-N-[(1R)-1-(2-methylphenyl)ethyl]cyclohexan-1-amine
CID 113414416
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[1-(4-iodophenyl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584402
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methoxycyclobutan-1-amine
CID 104584449
N-[(1S)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81397729
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 81396947
3-methoxy-N-[(2-methylphenyl)-phenylmethyl]cyclobutan-1-amine
CID 104584378
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol?
The IUPAC name of 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol (CID 104584456) is 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol.
What is the SMILES notation for 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol?
The canonical SMILES for 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol is COC1CC(NC(C)c2ccccc2O)C1.
What is the InChIKey of 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol?
The InChIKey is MZDIOWMOGVKEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(12-5-3-4-6-13(12)15)14-10-7-11(8-10)16-2/h3-6,9-11,14-15H,7-8H2,1-2H3.
What are the key properties of 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol?
2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxycyclobutyl)amino]ethyl]phenol is sourced from PubChem (CID 104584456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).