2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol

C22H23NO2 — CID 2768818

IUPAC2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol
SMILESCOc1ccc(CNCC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-25-21-14-12-18(13-15-21)16-23-17-22(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3
InChIKeyNGMUFQFQWYRUHU-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.72
Rot. Bonds7

About 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol

2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol (PubChem CID 2768818) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol
PubChem CID2768818
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol
SMILESCOc1ccc(CNCC(O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H23NO2/c1-25-21-14-12-18(13-15-21)16-23-17-22(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3
InChIKeyNGMUFQFQWYRUHU-UHFFFAOYSA-N
XLogP3.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol (CID 2768818) is 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol is COc1ccc(CNCC(O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol?
The InChIKey is NGMUFQFQWYRUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-25-21-14-12-18(13-15-21)16-23-17-22(24,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,23-24H,16-17H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol?
2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol has a molecular weight of 333.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-1,1-diphenylethanol is sourced from PubChem (CID 2768818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).