4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol

C23H25NO — CID 142099028

IUPAC4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
SMILESCc1cc(CN(CCc2ccccc2)Cc2ccccc2)ccc1O
InChIInChI=1S/C23H25NO/c1-19-16-22(12-13-23(19)25)18-24(17-21-10-6-3-7-11-21)15-14-20-8-4-2-5-9-20/h2-13,16,25H,14-15,17-18H2,1H3
InChIKeyRRHQFLRIXHOZTH-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.95
Rot. Bonds7

About 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol

4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol (PubChem CID 142099028) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol.

Molecular Properties

Compound Name4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
PubChem CID142099028
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol
SMILESCc1cc(CN(CCc2ccccc2)Cc2ccccc2)ccc1O
InChIInChI=1S/C23H25NO/c1-19-16-22(12-13-23(19)25)18-24(17-21-10-6-3-7-11-21)15-14-20-8-4-2-5-9-20/h2-13,16,25H,14-15,17-18H2,1H3
InChIKeyRRHQFLRIXHOZTH-UHFFFAOYSA-N
XLogP4.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol?
The IUPAC name of 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol (CID 142099028) is 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol.
What is the SMILES notation for 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol?
The canonical SMILES for 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol is Cc1cc(CN(CCc2ccccc2)Cc2ccccc2)ccc1O.
What is the InChIKey of 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol?
The InChIKey is RRHQFLRIXHOZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-19-16-22(12-13-23(19)25)18-24(17-21-10-6-3-7-11-21)15-14-20-8-4-2-5-9-20/h2-13,16,25H,14-15,17-18H2,1H3.
What are the key properties of 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol?
4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol has a molecular weight of 331.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(2-phenylethyl)amino]methyl]-2-methylphenol is sourced from PubChem (CID 142099028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).