2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride

C23H26ClNO2 — CID 17055126

IUPAC2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
SMILESCc1ccc(COc2cccc(CNCC(O)c3ccccc3)c2)cc1.Cl
InChIInChI=1S/C23H25NO2.ClH/c1-18-10-12-19(13-11-18)17-26-22-9-5-6-20(14-22)15-24-16-23(25)21-7-3-2-4-8-21;/h2-14,23-25H,15-17H2,1H3;1H
InChIKeyRFCWXIRFRMKKMH-UHFFFAOYSA-N
MW383.92 g/mol
LogP4.82
Rot. Bonds8

About 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride

2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride (PubChem CID 17055126) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
PubChem CID17055126
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
SMILESCc1ccc(COc2cccc(CNCC(O)c3ccccc3)c2)cc1.Cl
InChIInChI=1S/C23H25NO2.ClH/c1-18-10-12-19(13-11-18)17-26-22-9-5-6-20(14-22)15-24-16-23(25)21-7-3-2-4-8-21;/h2-14,23-25H,15-17H2,1H3;1H
InChIKeyRFCWXIRFRMKKMH-UHFFFAOYSA-N
XLogP4.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510
(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
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
(1R)-2-[(3-methylphenyl)methylamino]-1-phenylethanol
CID 51681134
(1R)-2-[[2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 29186359
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
2-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055248
1-(3-methoxyphenyl)-2-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]ethanol
CID 119128834
(1S)-2-[[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51993379
2-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17054533

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride (CID 17055126) is 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride is Cc1ccc(COc2cccc(CNCC(O)c3ccccc3)c2)cc1.Cl.
What is the InChIKey of 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is RFCWXIRFRMKKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2.ClH/c1-18-10-12-19(13-11-18)17-26-22-9-5-6-20(14-22)15-24-16-23(25)21-7-3-2-4-8-21;/h2-14,23-25H,15-17H2,1H3;1H.
What are the key properties of 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride?
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 17055126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).