2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol

C23H25NO3 — CID 4720119

IUPAC2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
SMILESCOc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NO3/c1-26-23-14-19(15-24-16-21(25)20-10-6-3-7-11-20)12-13-22(23)27-17-18-8-4-2-5-9-18/h2-14,21,24-25H,15-17H2,1H3
InChIKeyQYURARINJHLONL-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.10
Rot. Bonds9

About 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol

2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol (PubChem CID 4720119) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
PubChem CID4720119
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
SMILESCOc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H25NO3/c1-26-23-14-19(15-24-16-21(25)20-10-6-3-7-11-20)12-13-22(23)27-17-18-8-4-2-5-9-18/h2-14,21,24-25H,15-17H2,1H3
InChIKeyQYURARINJHLONL-UHFFFAOYSA-N
XLogP4.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol
CID 27004665
1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
CID 119128834
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720430
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673
2-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 66534458
3-[2-[(3,4-dimethoxyphenyl)methylamino]-1-hydroxyethyl]phenol;hydrochloride
CID 138402625
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
N-tert-butyl-2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 17295542

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol (CID 4720119) is 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol is COc1cc(CNCC(O)c2ccccc2)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol?
The InChIKey is QYURARINJHLONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-26-23-14-19(15-24-16-21(25)20-10-6-3-7-11-20)12-13-22(23)27-17-18-8-4-2-5-9-18/h2-14,21,24-25H,15-17H2,1H3.
What are the key properties of 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol?
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol has a molecular weight of 363.46 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 4720119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).