3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol

C15H17NO2 — CID 22070428

IUPAC3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)Cc1cccc(O)c1
InChIInChI=1S/C15H17NO2/c1-16(10-12-4-2-6-14(17)8-12)11-13-5-3-7-15(18)9-13/h2-9,17-18H,10-11H2,1H3
InChIKeyYETBSVROAJHQAA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.73
Rot. Bonds4

About 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol

3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol (PubChem CID 22070428) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
PubChem CID22070428
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)Cc1cccc(O)c1
InChIInChI=1S/C15H17NO2/c1-16(10-12-4-2-6-14(17)8-12)11-13-5-3-7-15(18)9-13/h2-9,17-18H,10-11H2,1H3
InChIKeyYETBSVROAJHQAA-UHFFFAOYSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-hydroxyphenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 79672932
3-[[methyl(2-methylsulfonylethyl)amino]methyl]phenol
CID 79672837
N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 61150384
3-[[methyl(3-methylbutan-2-yl)amino]methyl]phenol
CID 82977466
3-[(2-fluoro-N-methylanilino)methyl]phenol
CID 82978376
2-[(3-hydroxyphenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 79673031
2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 79670313
3-[[3-(furan-2-yl)propyl-methylamino]methyl]phenol
CID 91833366
3-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]phenol
CID 46998465
3-[[3-imidazol-1-ylpropyl(methyl)amino]methyl]phenol
CID 71176034
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol?
The IUPAC name of 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol (CID 22070428) is 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol?
The canonical SMILES for 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol is CN(Cc1cccc(O)c1)Cc1cccc(O)c1.
What is the InChIKey of 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol?
The InChIKey is YETBSVROAJHQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-16(10-12-4-2-6-14(17)8-12)11-13-5-3-7-15(18)9-13/h2-9,17-18H,10-11H2,1H3.
What are the key properties of 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol?
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol has a molecular weight of 243.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol is sourced from PubChem (CID 22070428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).