1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol

C22H23NO2 — CID 4720510

IUPAC1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H23NO2/c24-22(20-11-5-2-6-12-20)16-23-15-19-10-7-13-21(14-19)25-17-18-8-3-1-4-9-18/h1-14,22-24H,15-17H2
InChIKeyMMUSLFVNAYCBTD-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.09
Rot. Bonds8

About 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol

1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol (PubChem CID 4720510) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
PubChem CID4720510
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
SMILESOC(CNCc1cccc(OCc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C22H23NO2/c24-22(20-11-5-2-6-12-20)16-23-15-19-10-7-13-21(14-19)25-17-18-8-3-1-4-9-18/h1-14,22-24H,15-17H2
InChIKeyMMUSLFVNAYCBTD-UHFFFAOYSA-N
XLogP4.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
(1S)-1-(4-fluorophenyl)-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 124700879
(1S)-2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993453
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993379
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
CID 119128834
4-[(3-phenylmethoxyphenyl)methylamino]butan-2-ol
CID 111336616
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol?
The IUPAC name of 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol (CID 4720510) is 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol.
What is the SMILES notation for 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol?
The canonical SMILES for 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol is OC(CNCc1cccc(OCc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol?
The InChIKey is MMUSLFVNAYCBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-22(20-11-5-2-6-12-20)16-23-15-19-10-7-13-21(14-19)25-17-18-8-3-1-4-9-18/h1-14,22-24H,15-17H2.
What are the key properties of 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol?
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol has a molecular weight of 333.43 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol is sourced from PubChem (CID 4720510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).