2-(2-amino-4,4-dimethylpentoxy)phenol

C13H21NO2 — CID 117241706

IUPAC2-(2-amino-4,4-dimethylpentoxy)phenol
SMILESCC(C)(C)CC(N)COc1ccccc1O
InChIInChI=1S/C13H21NO2/c1-13(2,3)8-10(14)9-16-12-7-5-4-6-11(12)15/h4-7,10,15H,8-9,14H2,1-3H3
InChIKeyLBQBBANZUPYZAM-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-amino-4,4-dimethylpentoxy)phenol

2-(2-amino-4,4-dimethylpentoxy)phenol (PubChem CID 117241706) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(2-amino-4,4-dimethylpentoxy)phenol.

Molecular Properties

Compound Name2-(2-amino-4,4-dimethylpentoxy)phenol
PubChem CID117241706
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-(2-amino-4,4-dimethylpentoxy)phenol
SMILESCC(C)(C)CC(N)COc1ccccc1O
InChIInChI=1S/C13H21NO2/c1-13(2,3)8-10(14)9-16-12-7-5-4-6-11(12)15/h4-7,10,15H,8-9,14H2,1-3H3
InChIKeyLBQBBANZUPYZAM-UHFFFAOYSA-N
XLogP2.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenoxy)-4,4-dimethylpentan-2-amine
CID 117241707
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683
2-[2-amino-3-(furan-2-yl)propoxy]phenol
CID 117246117
2-(2-hydroxybutoxy)phenol
CID 58593134
3-(2-hydroxyphenoxy)-2-methylpropanamide
CID 43312348
2-[2-(aminomethyl)butoxy]phenol
CID 117241870
2-[2-amino-2-(4-methoxyphenyl)ethoxy]phenol
CID 117244585
2-[2-(aminomethyl)-4-methylpentoxy]phenol
CID 117241878
2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol
CID 23337701
4,4-dimethyl-1-[4-quinolin-4-yl-2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 142797261
2-(2-amino-2-piperidin-4-ylethoxy)phenol
CID 117238741
2-[3-amino-2-(4-hydroxyphenyl)propoxy]phenol
CID 117244893

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4,4-dimethylpentoxy)phenol?
The IUPAC name of 2-(2-amino-4,4-dimethylpentoxy)phenol (CID 117241706) is 2-(2-amino-4,4-dimethylpentoxy)phenol.
What is the SMILES notation for 2-(2-amino-4,4-dimethylpentoxy)phenol?
The canonical SMILES for 2-(2-amino-4,4-dimethylpentoxy)phenol is CC(C)(C)CC(N)COc1ccccc1O.
What is the InChIKey of 2-(2-amino-4,4-dimethylpentoxy)phenol?
The InChIKey is LBQBBANZUPYZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,3)8-10(14)9-16-12-7-5-4-6-11(12)15/h4-7,10,15H,8-9,14H2,1-3H3.
What are the key properties of 2-(2-amino-4,4-dimethylpentoxy)phenol?
2-(2-amino-4,4-dimethylpentoxy)phenol has a molecular weight of 223.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4,4-dimethylpentoxy)phenol is sourced from PubChem (CID 117241706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).