4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol

C13H19NO3 — CID 115978586

IUPAC4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNCC2(O)CCC2)ccc1O
InChIInChI=1S/C13H19NO3/c1-17-12-7-10(3-4-11(12)15)8-14-9-13(16)5-2-6-13/h3-4,7,14-16H,2,5-6,8-9H2,1H3
InChIKeyZFOOAFWOFICUBI-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.41
Rot. Bonds5

About 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol

4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol (PubChem CID 115978586) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
PubChem CID115978586
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNCC2(O)CCC2)ccc1O
InChIInChI=1S/C13H19NO3/c1-17-12-7-10(3-4-11(12)15)8-14-9-13(16)5-2-6-13/h3-4,7,14-16H,2,5-6,8-9H2,1H3
InChIKeyZFOOAFWOFICUBI-UHFFFAOYSA-N
XLogP1.41
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]-2-methoxyphenol
CID 28621925
1-[[(3-methoxy-4-methylsulfanylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 110922677
5-[[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]methyl]-2-methoxyphenol
CID 65115532
1-[[(4-methoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 63931646
4-[5-[[(1-hydroxycyclohexyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 56823435
2-chloro-4-[[(1-hydroxycyclobutyl)methylamino]methyl]phenol
CID 115625698
2-methoxy-5-[[(1-methylcyclobutyl)methylamino]methyl]phenol
CID 103735804
[1-[[(3,4-dimethoxyphenyl)methylamino]methyl]cyclopentyl]methanol
CID 115358427
1-[[[4-[(2S)-3-(diethylamino)-2-hydroxypropoxy]-3-methoxyphenyl]methylamino]methyl]cyclohexan-1-ol
CID 26402035
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxy-6-prop-2-enylphenol
CID 111122832
1-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]methyl]cyclopentan-1-ol
CID 111114413
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol (CID 115978586) is 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol is COc1cc(CNCC2(O)CCC2)ccc1O.
What is the InChIKey of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol?
The InChIKey is ZFOOAFWOFICUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-17-12-7-10(3-4-11(12)15)8-14-9-13(16)5-2-6-13/h3-4,7,14-16H,2,5-6,8-9H2,1H3.
What are the key properties of 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol?
4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol has a molecular weight of 237.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-hydroxycyclobutyl)methylamino]methyl]-2-methoxyphenol is sourced from PubChem (CID 115978586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).