3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol

C14H23NO2 — CID 57177838

IUPAC3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol
SMILESCN(CCCCC(C)(C)O)c1cccc(O)c1
InChIInChI=1S/C14H23NO2/c1-14(2,17)9-4-5-10-15(3)12-7-6-8-13(16)11-12/h6-8,11,16-17H,4-5,9-10H2,1-3H3
InChIKeyIBAOOUZVHHZYJP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.77
Rot. Bonds6

About 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol

3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol (PubChem CID 57177838) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol.

Molecular Properties

Compound Name3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol
PubChem CID57177838
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol
SMILESCN(CCCCC(C)(C)O)c1cccc(O)c1
InChIInChI=1S/C14H23NO2/c1-14(2,17)9-4-5-10-15(3)12-7-6-8-13(16)11-12/h6-8,11,16-17H,4-5,9-10H2,1-3H3
InChIKeyIBAOOUZVHHZYJP-UHFFFAOYSA-N
XLogP2.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(5-hydroxy-5-methylhexyl)-methylamino]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

4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767
1-amino-6-(3-methoxy-N-methylanilino)-2-methylhexan-2-ol
CID 64819164
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64791344
6-(N,3-dimethylanilino)hexan-1-ol
CID 103737894
6-(3-fluoro-N-methylanilino)-2,2-dimethylhexanenitrile
CID 106709977
3-[[(5-hydroxy-5-methylhexyl)amino]methyl]phenol
CID 23439773
N'-(3-methoxyphenyl)-N',2,2-trimethylhexane-1,6-diamine
CID 106708049
3-(dioctylamino)phenol
CID 15734569
3-(dimethylamino)phenol;ethane
CID 174543999
4-[2-(3-hydroxy-N-methylanilino)ethoxy]benzoic acid
CID 107736710
1-[2-(3-hydroxy-N-methylanilino)ethyl]cyclopropane-1-carboxylic acid
CID 84797407
ethane;3-[hydroxy(methyl)amino]phenol
CID 22759577

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol?
The IUPAC name of 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol (CID 57177838) is 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol.
What is the SMILES notation for 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol?
The canonical SMILES for 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol is CN(CCCCC(C)(C)O)c1cccc(O)c1.
What is the InChIKey of 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol?
The InChIKey is IBAOOUZVHHZYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,17)9-4-5-10-15(3)12-7-6-8-13(16)11-12/h6-8,11,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol?
3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-5-methylhexyl)-methylamino]phenol is sourced from PubChem (CID 57177838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).