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

C22H23NO2 — CID 42624483

IUPAC2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol
SMILESCOc1ccc(C(c2ccccc2O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-23(16-17-8-4-3-5-9-17)22(20-10-6-7-11-21(20)24)18-12-14-19(25-2)15-13-18/h3-15,22,24H,16H2,1-2H3
InChIKeyBBDQJIIZBVKKQY-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.62
Rot. Bonds6

About 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol

2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol (PubChem CID 42624483) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol
PubChem CID42624483
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol
SMILESCOc1ccc(C(c2ccccc2O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-23(16-17-8-4-3-5-9-17)22(20-10-6-7-11-21(20)24)18-12-14-19(25-2)15-13-18/h3-15,22,24H,16H2,1-2H3
InChIKeyBBDQJIIZBVKKQY-UHFFFAOYSA-N
XLogP4.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-3-phenylpropane-1,2-diamine
CID 61420508
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide
CID 131559171
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
N-benzyl-N-chloro-1-(4-methoxyphenyl)ethanamine;ethane
CID 144529374
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
N-benzyl-1-(2,5-dimethoxyphenyl)-N-methylethane-1,2-diamine
CID 43822937
2-[benzyl(methyl)amino]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 110908744
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylethanamine
CID 134794915
(2R)-2-(4-methoxyphenyl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanol
CID 96540909

Frequently Asked Questions

What is the IUPAC name of 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol?
The IUPAC name of 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol (CID 42624483) is 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol.
What is the SMILES notation for 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol?
The canonical SMILES for 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol is COc1ccc(C(c2ccccc2O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol?
The InChIKey is BBDQJIIZBVKKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-23(16-17-8-4-3-5-9-17)22(20-10-6-7-11-21(20)24)18-12-14-19(25-2)15-13-18/h3-15,22,24H,16H2,1-2H3.
What are the key properties of 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol?
2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol has a molecular weight of 333.43 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[benzyl(methyl)amino]-(4-methoxyphenyl)methyl]phenol is sourced from PubChem (CID 42624483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).