3-[hydroxy(methylamino)methyl]phenol

C8H11NO2 — CID 14302211

IUPAC3-[hydroxy(methylamino)methyl]phenol
SMILESCNC(O)c1cccc(O)c1
InChIInChI=1S/C8H11NO2/c1-9-8(11)6-3-2-4-7(10)5-6/h2-5,8-11H,1H3
InChIKeyGTHSXCSHJXUNQJ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.60
Rot. Bonds2

About 3-[hydroxy(methylamino)methyl]phenol

3-[hydroxy(methylamino)methyl]phenol (PubChem CID 14302211) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-[hydroxy(methylamino)methyl]phenol.

Molecular Properties

Compound Name3-[hydroxy(methylamino)methyl]phenol
PubChem CID14302211
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-[hydroxy(methylamino)methyl]phenol
SMILESCNC(O)c1cccc(O)c1
InChIInChI=1S/C8H11NO2/c1-9-8(11)6-3-2-4-7(10)5-6/h2-5,8-11H,1H3
InChIKeyGTHSXCSHJXUNQJ-UHFFFAOYSA-N
XLogP0.60
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[4-[hydroxy(methylamino)methyl]phenyl]phenol
CID 135170284
[3-(dimethylamino)phenyl]-(methylamino)methanol
CID 59725197
(3-ethylphenyl)-(methylamino)methanol
CID 91312447
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
ethane;3-[1-(methylamino)propyl]phenol
CID 143762212
4-[(R)-hydroxy(methylamino)methyl]benzene-1,2-diol
CID 58060681
3-[(1R)-1-deuterio-1-hydroxy-2-(methylamino)ethyl]phenol
CID 59348047
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-(1-hydroxyethyl)phenol;methanesulfonic acid
CID 174877430
3-[(1S)-2-amino-1-hydroxypropyl]phenol
CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
CID 102328188
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(methylamino)methyl]phenol?
The IUPAC name of 3-[hydroxy(methylamino)methyl]phenol (CID 14302211) is 3-[hydroxy(methylamino)methyl]phenol.
What is the SMILES notation for 3-[hydroxy(methylamino)methyl]phenol?
The canonical SMILES for 3-[hydroxy(methylamino)methyl]phenol is CNC(O)c1cccc(O)c1.
What is the InChIKey of 3-[hydroxy(methylamino)methyl]phenol?
The InChIKey is GTHSXCSHJXUNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-8(11)6-3-2-4-7(10)5-6/h2-5,8-11H,1H3.
What are the key properties of 3-[hydroxy(methylamino)methyl]phenol?
3-[hydroxy(methylamino)methyl]phenol has a molecular weight of 153.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(methylamino)methyl]phenol is sourced from PubChem (CID 14302211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).