2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol

C18H23NO3 — CID 3076594

IUPAC2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol
SMILESCN(C)CCOCC(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-19(2)12-13-21-14-18(20)15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-11,18,20H,12-14H2,1-2H3
InChIKeyFFVSPZUZWNLPLC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.09
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol

2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol (PubChem CID 3076594) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol
PubChem CID3076594
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol
SMILESCN(C)CCOCC(O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C18H23NO3/c1-19(2)12-13-21-14-18(20)15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-11,18,20H,12-14H2,1-2H3
InChIKeyFFVSPZUZWNLPLC-UHFFFAOYSA-N
XLogP3.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride
CID 3076591
1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
CID 3076599
2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
CID 10263644
[2-hydroxy-2-(4-phenoxyphenyl)ethyl] methanesulfonate
CID 23290257
2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol
CID 3076644
(1S)-2-amino-1-(4-phenoxyphenyl)ethanol
CID 39247565
dimethylamino-(4-phenoxyphenyl)methanol
CID 116909552
2-[2-(dimethylamino)ethoxy]-1-(furan-3-yl)ethanol;hydrochloride
CID 3076649
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(dimethylamino)ethoxy]ethanol
CID 3076624
2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol
CID 3076675
1-[4-[2-(dimethylamino)ethoxy]phenyl]-3,3-diphenylbutane-1,4-diol
CID 69304223
2-[2-(dimethylamino)ethoxy]-1-(3-nitrophenyl)ethanol;hydrochloride
CID 3076581

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol (CID 3076594) is 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol is CN(C)CCOCC(O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol?
The InChIKey is FFVSPZUZWNLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-19(2)12-13-21-14-18(20)15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-11,18,20H,12-14H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol?
2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol has a molecular weight of 301.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-1-(4-phenoxyphenyl)ethanol is sourced from PubChem (CID 3076594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).