[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol

C17H21NO3 — CID 107743378

IUPAC[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol
SMILESCNC(C)c1ccc(Oc2ccc(CO)cc2OC)cc1
InChIInChI=1S/C17H21NO3/c1-12(18-2)14-5-7-15(8-6-14)21-16-9-4-13(11-19)10-17(16)20-3/h4-10,12,18-19H,11H2,1-3H3
InChIKeyXWBQJKDHJUTWNO-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.26
Rot. Bonds6

About [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol

[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol (PubChem CID 107743378) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol
PubChem CID107743378
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol
SMILESCNC(C)c1ccc(Oc2ccc(CO)cc2OC)cc1
InChIInChI=1S/C17H21NO3/c1-12(18-2)14-5-7-15(8-6-14)21-16-9-4-13(11-19)10-17(16)20-3/h4-10,12,18-19H,11H2,1-3H3
InChIKeyXWBQJKDHJUTWNO-UHFFFAOYSA-N
XLogP3.26
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709122
2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709067
1-[5-[4-(hydroxymethyl)-2-methoxyphenoxy]-2-pyridinyl]ethanol
CID 107743552
1-(4-butoxy-3-methoxyphenyl)-N-methylethanamine
CID 43279392
[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
5-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 62228216
6-[2-methoxy-4-[1-(methylamino)ethyl]phenoxy]hexan-1-ol
CID 107702400
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
4-[4-[[4-(4-aminophenoxy)-3-methoxyphenyl]methyl]-2-methoxyphenoxy]aniline
CID 18926100
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
[4-[1-(4-aminophenyl)ethoxy]-3-methoxyphenyl]methanol
CID 107742769
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol?
The IUPAC name of [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol (CID 107743378) is [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol?
The canonical SMILES for [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol is CNC(C)c1ccc(Oc2ccc(CO)cc2OC)cc1.
What is the InChIKey of [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol?
The InChIKey is XWBQJKDHJUTWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(18-2)14-5-7-15(8-6-14)21-16-9-4-13(11-19)10-17(16)20-3/h4-10,12,18-19H,11H2,1-3H3.
What are the key properties of [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol?
[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol has a molecular weight of 287.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol is sourced from PubChem (CID 107743378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).