2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol

C12H17NO2 — CID 105460570

IUPAC2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
SMILESNCC1(C(O)c2ccccc2O)CCC1
InChIInChI=1S/C12H17NO2/c13-8-12(6-3-7-12)11(15)9-4-1-2-5-10(9)14/h1-2,4-5,11,14-15H,3,6-8,13H2
InChIKeyGGFMESPZBSPFSD-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.55
Rot. Bonds3

About 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol

2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol (PubChem CID 105460570) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
PubChem CID105460570
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol
SMILESNCC1(C(O)c2ccccc2O)CCC1
InChIInChI=1S/C12H17NO2/c13-8-12(6-3-7-12)11(15)9-4-1-2-5-10(9)14/h1-2,4-5,11,14-15H,3,6-8,13H2
InChIKeyGGFMESPZBSPFSD-UHFFFAOYSA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclobutyl]-fluoromethyl]phenol
CID 105463099
2-[[1-(aminomethyl)cyclohexyl]-fluoromethyl]phenol
CID 105499407
[1-(aminomethyl)cyclohexyl]-[2-(methoxymethyl)phenyl]methanol
CID 79123286
[1-(aminomethyl)cycloheptyl]-(2,3-dimethylphenyl)methanol
CID 79137587
[1-(aminomethyl)cyclobutyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79135689
[1-(aminomethyl)cyclobutyl]-(2-methylquinolin-4-yl)methanol
CID 79235625
[1-(aminomethyl)cyclopentyl]-(2,5-dimethoxyphenyl)methanol
CID 79134964
(S)-[4-(aminomethyl)oxan-4-yl]-(2-methylphenyl)methanol
CID 97035219
2-[(1R)-2-amino-1-[1-(hydroxymethyl)cyclopentyl]ethyl]phenol
CID 125454175
[1-(aminomethyl)cyclobutyl]-(2,3,4-trimethoxyphenyl)methanol
CID 79138330
[1-(aminomethyl)cyclobutyl]-(2-bromo-5-chlorophenyl)methanol
CID 79124264
[1-(aminomethyl)cyclopentyl]-(2,4-dichlorophenyl)methanol
CID 79135535

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol?
The IUPAC name of 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol (CID 105460570) is 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol?
The canonical SMILES for 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol is NCC1(C(O)c2ccccc2O)CCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol?
The InChIKey is GGFMESPZBSPFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c13-8-12(6-3-7-12)11(15)9-4-1-2-5-10(9)14/h1-2,4-5,11,14-15H,3,6-8,13H2.
What are the key properties of 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol?
2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol has a molecular weight of 207.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclobutyl]-hydroxymethyl]phenol is sourced from PubChem (CID 105460570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).