[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol

C11H17NO2 — CID 67196676

IUPAC[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
SMILESCN(C)Cc1cc(CO)cc(CO)c1
InChIInChI=1S/C11H17NO2/c1-12(2)6-9-3-10(7-13)5-11(4-9)8-14/h3-5,13-14H,6-8H2,1-2H3
InChIKeyAJDUFJILIJWCTD-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.73
Rot. Bonds4

About [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol

[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol (PubChem CID 67196676) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
PubChem CID67196676
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
SMILESCN(C)Cc1cc(CO)cc(CO)c1
InChIInChI=1S/C11H17NO2/c1-12(2)6-9-3-10(7-13)5-11(4-9)8-14/h3-5,13-14H,6-8H2,1-2H3
InChIKeyAJDUFJILIJWCTD-UHFFFAOYSA-N
XLogP0.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(dimethylamino)methyl]furan-3-yl]methanol
CID 22921719
3,5-bis[(dimethylamino)methyl]benzamide
CID 101488535
4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
4-[(dimethylamino)methyl]-2,6-diphenylphenol
CID 15625757
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine
CID 70823665
(3,5-dipropylphenyl)methanol
CID 23592581
[3-(hydroxymethyl)-5-propan-2-ylphenyl]methanol
CID 122692713
[3-chloro-5-(hydroxymethyl)phenyl]methanol
CID 23562355
1-[4-[(dimethylamino)methyl]-2,6-difluorophenyl]ethanone
CID 122479981
thiocyanic acid;2,4,6-tris[(dimethylamino)methyl]phenol
CID 87898895

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol (CID 67196676) is [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol is CN(C)Cc1cc(CO)cc(CO)c1.
What is the InChIKey of [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol?
The InChIKey is AJDUFJILIJWCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-12(2)6-9-3-10(7-13)5-11(4-9)8-14/h3-5,13-14H,6-8H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol?
[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol has a molecular weight of 195.26 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 67196676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).