2-[[2-(hydroxymethyl)anilino]methyl]phenol

C14H15NO2 — CID 43743175

IUPAC2-[[2-(hydroxymethyl)anilino]methyl]phenol
SMILESOCc1ccccc1NCc1ccccc1O
InChIInChI=1S/C14H15NO2/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17/h1-8,15-17H,9-10H2
InChIKeyXCCZZWVLRNHPFB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.50
Rot. Bonds4

About 2-[[2-(hydroxymethyl)anilino]methyl]phenol

2-[[2-(hydroxymethyl)anilino]methyl]phenol (PubChem CID 43743175) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)anilino]methyl]phenol
PubChem CID43743175
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[[2-(hydroxymethyl)anilino]methyl]phenol
SMILESOCc1ccccc1NCc1ccccc1O
InChIInChI=1S/C14H15NO2/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17/h1-8,15-17H,9-10H2
InChIKeyXCCZZWVLRNHPFB-UHFFFAOYSA-N
XLogP2.50
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.50
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

3-[[2-(hydroxymethyl)anilino]methyl]benzene-1,2-diol
CID 61318684
[2-[(2,4,5-trifluorophenyl)methylamino]phenyl]methanol
CID 103818098
2-[(2-methylanilino)methyl]phenol
CID 3240149
[2-[(2,6-dichlorophenyl)methylamino]phenyl]methanol
CID 43229623
[2-[(2-cyclopropylphenyl)methylamino]phenyl]methanol
CID 79979361
2-[(2-bromoanilino)methyl]phenol;hydrochloride
CID 126460187
[2-[(4-chlorophenyl)methylamino]phenyl]methanol
CID 14260872
[2-[(2,4-dimethylphenyl)methylamino]phenyl]methanol
CID 43743124
[2-(pyridin-2-ylmethylamino)phenyl]methanol
CID 43743203
[2-(pyrimidin-5-ylmethylamino)phenyl]methanol
CID 62759551
2-(hydroxymethyl)phenol;methane
CID 157439231
CID 137424646
CID 137424646

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)anilino]methyl]phenol?
The IUPAC name of 2-[[2-(hydroxymethyl)anilino]methyl]phenol (CID 43743175) is 2-[[2-(hydroxymethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-[[2-(hydroxymethyl)anilino]methyl]phenol?
The canonical SMILES for 2-[[2-(hydroxymethyl)anilino]methyl]phenol is OCc1ccccc1NCc1ccccc1O.
What is the InChIKey of 2-[[2-(hydroxymethyl)anilino]methyl]phenol?
The InChIKey is XCCZZWVLRNHPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-10-12-6-1-3-7-13(12)15-9-11-5-2-4-8-14(11)17/h1-8,15-17H,9-10H2.
What are the key properties of 2-[[2-(hydroxymethyl)anilino]methyl]phenol?
2-[[2-(hydroxymethyl)anilino]methyl]phenol has a molecular weight of 229.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)anilino]methyl]phenol is sourced from PubChem (CID 43743175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).