2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol

C13H21NO2 — CID 115623477

IUPAC2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
SMILESCCCC(C)(O)CNCc1ccccc1O
InChIInChI=1S/C13H21NO2/c1-3-8-13(2,16)10-14-9-11-6-4-5-7-12(11)15/h4-7,14-16H,3,8-10H2,1-2H3
InChIKeyIWGXXTQGVGOMGB-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds6

About 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol

2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol (PubChem CID 115623477) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
PubChem CID115623477
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
SMILESCCCC(C)(O)CNCc1ccccc1O
InChIInChI=1S/C13H21NO2/c1-3-8-13(2,16)10-14-9-11-6-4-5-7-12(11)15/h4-7,14-16H,3,8-10H2,1-2H3
InChIKeyIWGXXTQGVGOMGB-UHFFFAOYSA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-cyclopropylphenyl)methylamino]-2-methylpentan-2-ol
CID 113252298
2-methyl-1-[(2,4,5-trifluorophenyl)methylamino]pentan-2-ol
CID 113263596
2-(ethylaminomethyl)phenol
CID 12995218
1-[(4-bromophenyl)methylamino]-2-methylpentan-2-ol
CID 115623479
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103821545
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
CID 115767901
2,6-difluoro-4-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 113251429
2-methyl-1-(2-phenylprop-2-enylamino)pentan-2-ol
CID 106292785
1-[[3-(methoxymethyl)phenyl]methylamino]-2-methylpentan-2-ol
CID 103699421
2-chloro-6-[[(2-hydroxy-2-methylbutyl)amino]methyl]phenol
CID 112554014
3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115603008
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol?
The IUPAC name of 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol (CID 115623477) is 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol is CCCC(C)(O)CNCc1ccccc1O.
What is the InChIKey of 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol?
The InChIKey is IWGXXTQGVGOMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-3-8-13(2,16)10-14-9-11-6-4-5-7-12(11)15/h4-7,14-16H,3,8-10H2,1-2H3.
What are the key properties of 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol?
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol is sourced from PubChem (CID 115623477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).