(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol

C23H25NO2 — CID 29186359

IUPAC(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESCc1ccc(COc2ccccc2CNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2/c1-18-11-13-19(14-12-18)17-26-23-10-6-5-9-21(23)15-24-16-22(25)20-7-3-2-4-8-20/h2-14,22,24-25H,15-17H2,1H3/t22-/m0/s1
InChIKeyJJLSSRIQKLLFEJ-QFIPXVFZSA-N
MW347.46 g/mol
LogP4.40
Rot. Bonds8

About (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol

(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol (PubChem CID 29186359) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
PubChem CID29186359
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
SMILESCc1ccc(COc2ccccc2CNC[C@H](O)c2ccccc2)cc1
InChIInChI=1S/C23H25NO2/c1-18-11-13-19(14-12-18)17-26-23-10-6-5-9-21(23)15-24-16-22(25)20-7-3-2-4-8-20/h2-14,22,24-25H,15-17H2,1H3/t22-/m0/s1
InChIKeyJJLSSRIQKLLFEJ-QFIPXVFZSA-N
XLogP4.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol with MolForge

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Related Compounds

1-phenyl-2-[(2-phenylmethoxyphenyl)methylamino]ethanol;hydrochloride
CID 17294540
(2S)-1-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29186334
2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055248
(1R)-2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 27153591
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
(1R)-2-[(5-bromo-2-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 27155496
(2S)-1-[[2-[(4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 927402
1-phenyl-2-[(2-prop-2-enoxyphenyl)methylamino]ethanol
CID 43220929
(1R)-2-[(2-methoxyphenyl)methylamino]-1-(3-phenylmethoxyphenyl)ethanol
CID 46893592
(1R)-2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993677
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine
CID 17156456

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol (CID 29186359) is (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol is Cc1ccc(COc2ccccc2CNC[C@H](O)c2ccccc2)cc1.
What is the InChIKey of (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
The InChIKey is JJLSSRIQKLLFEJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NO2/c1-18-11-13-19(14-12-18)17-26-23-10-6-5-9-21(23)15-24-16-22(25)20-7-3-2-4-8-20/h2-14,22,24-25H,15-17H2,1H3/t22-/m0/s1.
What are the key properties of (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol?
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol has a molecular weight of 347.46 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol is sourced from PubChem (CID 29186359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).