2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride

C18H24ClNO3 — CID 3076591

IUPAC2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride
SMILESCN(C)CCOCC(O)c1cccc(Oc2ccccc2)c1.Cl
InChIInChI=1S/C18H23NO3.ClH/c1-19(2)11-12-21-14-18(20)15-7-6-10-17(13-15)22-16-8-4-3-5-9-16;/h3-10,13,18,20H,11-12,14H2,1-2H3;1H
InChIKeyAXFSZLVQRDUIIZ-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.51
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride

2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride (PubChem CID 3076591) has the molecular formula C18H24ClNO3 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride
PubChem CID3076591
Molecular FormulaC18H24ClNO3
Molecular Weight337.85 g/mol
Exact Mass337.14
IUPAC Name2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride
SMILESCN(C)CCOCC(O)c1cccc(Oc2ccccc2)c1.Cl
InChIInChI=1S/C18H23NO3.ClH/c1-19(2)11-12-21-14-18(20)15-7-6-10-17(13-15)22-16-8-4-3-5-9-16;/h3-10,13,18,20H,11-12,14H2,1-2H3;1H
InChIKeyAXFSZLVQRDUIIZ-UHFFFAOYSA-N
XLogP3.51
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.51
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-(4-phenoxyphenyl)ethanol
CID 3076594
2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
CID 10263644
2-[2-(dimethylamino)ethoxy]-1-(3-nitrophenyl)ethanol;hydrochloride
CID 3076581
1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
CID 3076599
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717
S-[2-(dimethylamino)ethyl] 2-(3-phenoxyphenyl)propanethioate
CID 24993881
2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol
CID 3076644
1-(3-phenoxyphenyl)ethanol
CID 12882419
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
(2S,3R,4S)-4-(3-phenoxyphenyl)pentane-2,3-diol
CID 135050581
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride (CID 3076591) is 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride is CN(C)CCOCC(O)c1cccc(Oc2ccccc2)c1.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride?
The InChIKey is AXFSZLVQRDUIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3.ClH/c1-19(2)11-12-21-14-18(20)15-7-6-10-17(13-15)22-16-8-4-3-5-9-16;/h3-10,13,18,20H,11-12,14H2,1-2H3;1H.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride?
2-[2-(dimethylamino)ethoxy]-1-(3-phenoxyphenyl)ethanol;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 3.51, 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-(3-phenoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 3076591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).