2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol

C17H21NO2 — CID 107709067

IUPAC2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
SMILESCNC(C)c1ccc(Oc2ccc(CCO)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(18-2)15-5-9-17(10-6-15)20-16-7-3-14(4-8-16)11-12-19/h3-10,13,18-19H,11-12H2,1-2H3
InChIKeyUIYLAGZRUREBJX-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.29
Rot. Bonds6

About 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol

2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol (PubChem CID 107709067) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
PubChem CID107709067
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
SMILESCNC(C)c1ccc(Oc2ccc(CCO)cc2)cc1
InChIInChI=1S/C17H21NO2/c1-13(18-2)15-5-9-17(10-6-15)20-16-7-3-14(4-8-16)11-12-19/h3-10,13,18-19H,11-12H2,1-2H3
InChIKeyUIYLAGZRUREBJX-UHFFFAOYSA-N
XLogP3.29
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol
CID 107709122
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030
3-[4-[1-(methylamino)ethyl]phenoxy]propan-1-ol
CID 43285961
[3-methoxy-4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]methanol
CID 107743378
2-[4-[1-(4-ethoxyphenyl)ethylamino]phenyl]ethanol
CID 61236951
N-methyl-1-[4-(4-propylphenyl)phenyl]ethanamine
CID 55198846
1-[3-fluoro-4-(4-propylphenoxy)phenyl]-N-methylethanamine
CID 63534051
N-methyl-1-(4-naphthalen-2-yloxyphenyl)ethanamine
CID 43285636
1-[4-(3,4-difluorophenoxy)phenyl]-N-methylethanamine
CID 43554825
2-[4-[1-(4-propan-2-ylphenyl)ethylamino]phenyl]ethanol
CID 61236945
2-[4-[1-[4-(dimethylamino)phenyl]ethylamino]phenyl]ethanol
CID 61238255
2-[4-[1-(4-methylphenyl)ethylamino]phenyl]ethanol
CID 61238927

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol?
The IUPAC name of 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol (CID 107709067) is 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol.
What is the SMILES notation for 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol?
The canonical SMILES for 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol is CNC(C)c1ccc(Oc2ccc(CCO)cc2)cc1.
What is the InChIKey of 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol?
The InChIKey is UIYLAGZRUREBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(18-2)15-5-9-17(10-6-15)20-16-7-3-14(4-8-16)11-12-19/h3-10,13,18-19H,11-12H2,1-2H3.
What are the key properties of 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol?
2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol has a molecular weight of 271.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1-(methylamino)ethyl]phenoxy]phenyl]ethanol is sourced from PubChem (CID 107709067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).