2-[2-(aminomethyl)-4-methylpentoxy]phenol

C13H21NO2 — CID 117241878

IUPAC2-[2-(aminomethyl)-4-methylpentoxy]phenol
SMILESCC(C)CC(CN)COc1ccccc1O
InChIInChI=1S/C13H21NO2/c1-10(2)7-11(8-14)9-16-13-6-4-3-5-12(13)15/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyXVGBFKXEDKXTCJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-(aminomethyl)-4-methylpentoxy]phenol

2-[2-(aminomethyl)-4-methylpentoxy]phenol (PubChem CID 117241878) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpentoxy]phenol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpentoxy]phenol
PubChem CID117241878
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[2-(aminomethyl)-4-methylpentoxy]phenol
SMILESCC(C)CC(CN)COc1ccccc1O
InChIInChI=1S/C13H21NO2/c1-10(2)7-11(8-14)9-16-13-6-4-3-5-12(13)15/h3-6,10-11,15H,7-9,14H2,1-2H3
InChIKeyXVGBFKXEDKXTCJ-UHFFFAOYSA-N
XLogP2.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)butoxy]phenol
CID 117241870
2-[3-amino-2-(4-hydroxyphenyl)propoxy]phenol
CID 117244893
4-methyl-2-[(4-methylphenoxy)methyl]pentan-1-amine
CID 117241951
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
2-[3-amino-2-(4-methoxyphenyl)propoxy]phenol
CID 117244895
2-[3-amino-2-(2-fluorophenyl)propoxy]phenol
CID 117243970
2-[3-amino-2-(3-hydroxyphenyl)propoxy]phenol
CID 117243012
2-(2-hydroxybutoxy)phenol
CID 58593134
2-[3-amino-2-(3-chlorophenyl)propoxy]phenol
CID 117242992
2-[1-amino-3-(2-methoxyphenoxy)propan-2-yl]phenol
CID 117243992
2-(2-amino-4,4-dimethylpentoxy)phenol
CID 117241706
3-(aminomethyl)-5-methyl-1-(2-propoxyphenyl)hexan-1-one
CID 116576808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpentoxy]phenol?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpentoxy]phenol (CID 117241878) is 2-[2-(aminomethyl)-4-methylpentoxy]phenol.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpentoxy]phenol?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpentoxy]phenol is CC(C)CC(CN)COc1ccccc1O.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpentoxy]phenol?
The InChIKey is XVGBFKXEDKXTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)7-11(8-14)9-16-13-6-4-3-5-12(13)15/h3-6,10-11,15H,7-9,14H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylpentoxy]phenol?
2-[2-(aminomethyl)-4-methylpentoxy]phenol has a molecular weight of 223.32 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpentoxy]phenol is sourced from PubChem (CID 117241878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).