2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol

C18H23NO3 — CID 4721212

IUPAC2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCCOc1cc(CNCC(O)c2ccccc2)ccc1OC
InChIInChI=1S/C18H23NO3/c1-3-22-18-11-14(9-10-17(18)21-2)12-19-13-16(20)15-7-5-4-6-8-15/h4-11,16,19-20H,3,12-13H2,1-2H3
InChIKeyVPBRWXUOJVJKJA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.92
Rot. Bonds8

About 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol

2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol (PubChem CID 4721212) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
PubChem CID4721212
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
SMILESCCOc1cc(CNCC(O)c2ccccc2)ccc1OC
InChIInChI=1S/C18H23NO3/c1-3-22-18-11-14(9-10-17(18)21-2)12-19-13-16(20)15-7-5-4-6-8-15/h4-11,16,19-20H,3,12-13H2,1-2H3
InChIKeyVPBRWXUOJVJKJA-UHFFFAOYSA-N
XLogP2.92
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 17295735
1-(4-chlorophenyl)-2-[(3-ethoxy-4-methoxyphenyl)methylamino]ethanol
CID 110885649
2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]-1-phenylethanol
CID 4720119
2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 4720430
(2S)-1-[(3-ethoxy-4-methoxyphenyl)methylamino]propan-2-ol
CID 51432607
(1S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 29223950
2-[4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-2-methoxyphenoxy]acetamide chloride
CID 21233673
2-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17294955
(1R)-2-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]-1-phenylethanol
CID 51992940
2-[(3-chloro-4-methoxyphenyl)methylamino]-1-phenylethanol;hydrochloride
CID 132847052
2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 4721232
(1R)-2-[(3-chloro-5-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol
CID 7311622

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol?
The IUPAC name of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol (CID 4721212) is 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol?
The canonical SMILES for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol is CCOc1cc(CNCC(O)c2ccccc2)ccc1OC.
What is the InChIKey of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol?
The InChIKey is VPBRWXUOJVJKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-3-22-18-11-14(9-10-17(18)21-2)12-19-13-16(20)15-7-5-4-6-8-15/h4-11,16,19-20H,3,12-13H2,1-2H3.
What are the key properties of 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol?
2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol has a molecular weight of 301.39 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4-methoxyphenyl)methylamino]-1-phenylethanol is sourced from PubChem (CID 4721212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).