2-[2-(aminomethyl)butoxy]phenol

C11H17NO2 — CID 117241870

IUPAC2-[2-(aminomethyl)butoxy]phenol
SMILESCCC(CN)COc1ccccc1O
InChIInChI=1S/C11H17NO2/c1-2-9(7-12)8-14-11-6-4-3-5-10(11)13/h3-6,9,13H,2,7-8,12H2,1H3
InChIKeyIFHOXHGYLPNWAW-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.76
Rot. Bonds5

About 2-[2-(aminomethyl)butoxy]phenol

2-[2-(aminomethyl)butoxy]phenol (PubChem CID 117241870) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[2-(aminomethyl)butoxy]phenol.

Molecular Properties

Compound Name2-[2-(aminomethyl)butoxy]phenol
PubChem CID117241870
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[2-(aminomethyl)butoxy]phenol
SMILESCCC(CN)COc1ccccc1O
InChIInChI=1S/C11H17NO2/c1-2-9(7-12)8-14-11-6-4-3-5-10(11)13/h3-6,9,13H,2,7-8,12H2,1H3
InChIKeyIFHOXHGYLPNWAW-UHFFFAOYSA-N
XLogP1.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)butoxy]phenol 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

2-[2-(aminomethyl)-4-methylpentoxy]phenol
CID 117241878
2-(2-hydroxybutoxy)phenol
CID 58593134
2-[3-amino-2-(4-hydroxyphenyl)propoxy]phenol
CID 117244893
2-[(2-bromophenoxy)methyl]pentan-1-amine
CID 117241854
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
ethanol;2-(trioxidanyl)phenol
CID 173403198
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970
2-(2-amino-4,4-dimethylpentoxy)phenol
CID 117241706
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
2-[2-(bromomethyl)butoxy]benzamide
CID 64995210
2-[(3-chlorophenoxy)methyl]butan-1-amine
CID 117241903

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)butoxy]phenol?
The IUPAC name of 2-[2-(aminomethyl)butoxy]phenol (CID 117241870) is 2-[2-(aminomethyl)butoxy]phenol.
What is the SMILES notation for 2-[2-(aminomethyl)butoxy]phenol?
The canonical SMILES for 2-[2-(aminomethyl)butoxy]phenol is CCC(CN)COc1ccccc1O.
What is the InChIKey of 2-[2-(aminomethyl)butoxy]phenol?
The InChIKey is IFHOXHGYLPNWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-9(7-12)8-14-11-6-4-3-5-10(11)13/h3-6,9,13H,2,7-8,12H2,1H3.
What are the key properties of 2-[2-(aminomethyl)butoxy]phenol?
2-[2-(aminomethyl)butoxy]phenol has a molecular weight of 195.26 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)butoxy]phenol is sourced from PubChem (CID 117241870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).