4-[[benzyl(methyl)amino]methyl]phenol

C15H17NO — CID 782881

IUPAC4-[[benzyl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccccc1)Cc1ccc(O)cc1
InChIInChI=1S/C15H17NO/c1-16(11-13-5-3-2-4-6-13)12-14-7-9-15(17)10-8-14/h2-10,17H,11-12H2,1H3
InChIKeyDPQLVBISBFCINL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.02
Rot. Bonds4

About 4-[[benzyl(methyl)amino]methyl]phenol

4-[[benzyl(methyl)amino]methyl]phenol (PubChem CID 782881) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[[benzyl(methyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[benzyl(methyl)amino]methyl]phenol
PubChem CID782881
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[[benzyl(methyl)amino]methyl]phenol
SMILESCN(Cc1ccccc1)Cc1ccc(O)cc1
InChIInChI=1S/C15H17NO/c1-16(11-13-5-3-2-4-6-13)12-14-7-9-15(17)10-8-14/h2-10,17H,11-12H2,1H3
InChIKeyDPQLVBISBFCINL-UHFFFAOYSA-N
XLogP3.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(methyl)amino]methyl]phenol?
The IUPAC name of 4-[[benzyl(methyl)amino]methyl]phenol (CID 782881) is 4-[[benzyl(methyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[benzyl(methyl)amino]methyl]phenol?
The canonical SMILES for 4-[[benzyl(methyl)amino]methyl]phenol is CN(Cc1ccccc1)Cc1ccc(O)cc1.
What is the InChIKey of 4-[[benzyl(methyl)amino]methyl]phenol?
The InChIKey is DPQLVBISBFCINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16(11-13-5-3-2-4-6-13)12-14-7-9-15(17)10-8-14/h2-10,17H,11-12H2,1H3.
What are the key properties of 4-[[benzyl(methyl)amino]methyl]phenol?
4-[[benzyl(methyl)amino]methyl]phenol has a molecular weight of 227.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(methyl)amino]methyl]phenol is sourced from PubChem (CID 782881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).