methylamino(phenyl)methanediol

C8H11NO2 — CID 89244016

IUPACmethylamino(phenyl)methanediol
SMILESCNC(O)(O)c1ccccc1
InChIInChI=1S/C8H11NO2/c1-9-8(10,11)7-5-3-2-4-6-7/h2-6,9-11H,1H3
InChIKeyKIZXJEHWFGQWFO-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.00
Rot. Bonds2

About methylamino(phenyl)methanediol

methylamino(phenyl)methanediol (PubChem CID 89244016) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is methylamino(phenyl)methanediol.

Molecular Properties

Compound Namemethylamino(phenyl)methanediol
PubChem CID89244016
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Namemethylamino(phenyl)methanediol
SMILESCNC(O)(O)c1ccccc1
InChIInChI=1S/C8H11NO2/c1-9-8(10,11)7-5-3-2-4-6-7/h2-6,9-11H,1H3
InChIKeyKIZXJEHWFGQWFO-UHFFFAOYSA-N
XLogP0.00
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 ≤ 50.00
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

1-(methylamino)-1,1-diphenylpropan-2-ol
CID 139632389
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
N,N',N",N"-tetramethyl-1-phenylmethanetriamine
CID 172823896
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
(2R,3R)-3-(methylamino)-2-phenylbutan-2-ol
CID 89263226
1-(methylamino)-2-phenylpropan-2-ol;palladium;tetrahydrochloride
CID 173355754
diphenylmethanediol;dihydrochloride
CID 174953837
tert-butylbenzene;molecular nitrogen
CID 146464751
4-hydroxy-3-methyl-4-(methylamino)-4-phenylbutan-2-one
CID 174652042
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380

Frequently Asked Questions

What is the IUPAC name of methylamino(phenyl)methanediol?
The IUPAC name of methylamino(phenyl)methanediol (CID 89244016) is methylamino(phenyl)methanediol.
What is the SMILES notation for methylamino(phenyl)methanediol?
The canonical SMILES for methylamino(phenyl)methanediol is CNC(O)(O)c1ccccc1.
What is the InChIKey of methylamino(phenyl)methanediol?
The InChIKey is KIZXJEHWFGQWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-9-8(10,11)7-5-3-2-4-6-7/h2-6,9-11H,1H3.
What are the key properties of methylamino(phenyl)methanediol?
methylamino(phenyl)methanediol has a molecular weight of 153.18 g/mol, XLogP of 0.00, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino(phenyl)methanediol is sourced from PubChem (CID 89244016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).