2-[(6-hydroxyhexylamino)methyl]phenol

C13H21NO2 — CID 82678109

IUPAC2-[(6-hydroxyhexylamino)methyl]phenol
SMILESOCCCCCCNCc1ccccc1O
InChIInChI=1S/C13H21NO2/c15-10-6-2-1-5-9-14-11-12-7-3-4-8-13(12)16/h3-4,7-8,14-16H,1-2,5-6,9-11H2
InChIKeyOJSWVKIQWOAWKG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds8

About 2-[(6-hydroxyhexylamino)methyl]phenol

2-[(6-hydroxyhexylamino)methyl]phenol (PubChem CID 82678109) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[(6-hydroxyhexylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(6-hydroxyhexylamino)methyl]phenol
PubChem CID82678109
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[(6-hydroxyhexylamino)methyl]phenol
SMILESOCCCCCCNCc1ccccc1O
InChIInChI=1S/C13H21NO2/c15-10-6-2-1-5-9-14-11-12-7-3-4-8-13(12)16/h3-4,7-8,14-16H,1-2,5-6,9-11H2
InChIKeyOJSWVKIQWOAWKG-UHFFFAOYSA-N
XLogP2.03
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(6-hydroxyhexylamino)methyl]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-[(2-ethylphenyl)methylamino]butan-1-ol
CID 64680949
2-[[2-(3-hydroxypropylsulfanyl)ethylamino]methyl]phenol
CID 103649053
6-[[2-(trifluoromethyl)phenyl]methylamino]hexan-1-ol
CID 22006356
2-[(6-hydroxyhexylamino)methyl]benzamide
CID 114009117
2-[(3-fluoropropylamino)methyl]phenol
CID 115733014
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
2-[(5,5,5-trifluoropentylamino)methyl]phenol
CID 115491381
6-[[2-(trifluoromethoxy)phenyl]methylamino]hexan-1-ol
CID 103924217
6-[(2-bromo-3-fluorophenyl)methylamino]hexan-1-ol
CID 114009115
2-[(4-methylpentylamino)methyl]phenol
CID 61044240
2-[(4-hydroxybutylamino)methyl]-5-methoxyphenol
CID 106840604
2-[[[(2-hydroxyphenyl)methylamino]methylamino]methyl]phenol
CID 59771868

Frequently Asked Questions

What is the IUPAC name of 2-[(6-hydroxyhexylamino)methyl]phenol?
The IUPAC name of 2-[(6-hydroxyhexylamino)methyl]phenol (CID 82678109) is 2-[(6-hydroxyhexylamino)methyl]phenol.
What is the SMILES notation for 2-[(6-hydroxyhexylamino)methyl]phenol?
The canonical SMILES for 2-[(6-hydroxyhexylamino)methyl]phenol is OCCCCCCNCc1ccccc1O.
What is the InChIKey of 2-[(6-hydroxyhexylamino)methyl]phenol?
The InChIKey is OJSWVKIQWOAWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-10-6-2-1-5-9-14-11-12-7-3-4-8-13(12)16/h3-4,7-8,14-16H,1-2,5-6,9-11H2.
What are the key properties of 2-[(6-hydroxyhexylamino)methyl]phenol?
2-[(6-hydroxyhexylamino)methyl]phenol has a molecular weight of 223.32 g/mol, XLogP of 2.03, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-hydroxyhexylamino)methyl]phenol is sourced from PubChem (CID 82678109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).