2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride

C17H22ClNO2 — CID 6461573

IUPAC2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCCOc1ccc(CNCC(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-2-20-16-10-8-14(9-11-16)12-18-13-17(19)15-6-4-3-5-7-15;/h3-11,17-19H,2,12-13H2,1H3;1H
InChIKeyZCSKTJYUQDWIIJ-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.33
Rot. Bonds7

About 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride

2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride (PubChem CID 6461573) has the molecular formula C17H22ClNO2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
PubChem CID6461573
Molecular FormulaC17H22ClNO2
Molecular Weight307.82 g/mol
Exact Mass307.13
IUPAC Name2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
SMILESCCOc1ccc(CNCC(O)c2ccccc2)cc1.Cl
InChIInChI=1S/C17H21NO2.ClH/c1-2-20-16-10-8-14(9-11-16)12-18-13-17(19)15-6-4-3-5-7-15;/h3-11,17-19H,2,12-13H2,1H3;1H
InChIKeyZCSKTJYUQDWIIJ-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721212
(1R)-2-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989026
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
(1S)-1-phenyl-2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]ethanol
CID 8621628
1-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]methanamine;hydrochloride
CID 170995213
2-[(4-iodophenyl)methylamino]-1-phenylethanol
CID 65479403
(1R)-2-[(4-fluorophenyl)methylamino]-1-phenylethanol
CID 6926807
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
1-[(4-ethoxyphenyl)methylamino]-4-methylpentan-2-ol
CID 103631774
(1R)-1-phenyl-2-[(3-propoxyphenyl)methylamino]ethanol
CID 29222092
(1S)-2-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenylethanol
CID 51989098

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The IUPAC name of 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride (CID 6461573) is 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride is CCOc1ccc(CNCC(O)c2ccccc2)cc1.Cl.
What is the InChIKey of 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
The InChIKey is ZCSKTJYUQDWIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.ClH/c1-2-20-16-10-8-14(9-11-16)12-18-13-17(19)15-6-4-3-5-7-15;/h3-11,17-19H,2,12-13H2,1H3;1H.
What are the key properties of 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride?
2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride has a molecular weight of 307.82 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methylamino]-1-phenylethanol;hydrochloride is sourced from PubChem (CID 6461573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).