1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride

C18H23Cl2NO3 — CID 3076599

IUPAC1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
SMILESCN(C)CCOCC(O)c1ccc(Oc2ccccc2Cl)cc1.Cl
InChIInChI=1S/C18H22ClNO3.ClH/c1-20(2)11-12-22-13-17(21)14-7-9-15(10-8-14)23-18-6-4-3-5-16(18)19;/h3-10,17,21H,11-13H2,1-2H3;1H
InChIKeyCFPBNBNDMRHGFD-UHFFFAOYSA-N
MW372.29 g/mol
LogP4.17
Rot. Bonds8

About 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride

1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride (PubChem CID 3076599) has the molecular formula C18H23Cl2NO3 and a molecular weight of 372.29 g/mol. Its IUPAC name is 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
PubChem CID3076599
Molecular FormulaC18H23Cl2NO3
Molecular Weight372.29 g/mol
Exact Mass371.11
IUPAC Name1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
SMILESCN(C)CCOCC(O)c1ccc(Oc2ccccc2Cl)cc1.Cl
InChIInChI=1S/C18H22ClNO3.ClH/c1-20(2)11-12-22-13-17(21)14-7-9-15(10-8-14)23-18-6-4-3-5-16(18)19;/h3-10,17,21H,11-13H2,1-2H3;1H
InChIKeyCFPBNBNDMRHGFD-UHFFFAOYSA-N
XLogP4.17
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 54.17
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-phenoxyphenyl)ethanol;hydrochloride
CID 3076591
2-(2-chlorophenoxy)-1-(4-methoxyphenyl)ethanol
CID 117244582
2-[2-(dimethylamino)ethoxy]-1-(3-methoxyphenyl)ethanol
CID 10263644
2-[2-(dimethylamino)ethoxy]-1-(furan-3-yl)ethanol;hydrochloride
CID 3076649
2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol
CID 3076644
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
N,N-dimethyl-3-[2-(4-methylphenoxy)phenoxy]propan-1-amine
CID 155988342
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
azane;1-chloro-2-phenoxybenzene
CID 68980819
2-(2-chlorophenoxy)-1-pyridin-4-ylethanol
CID 117246462

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride?
The IUPAC name of 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride (CID 3076599) is 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride.
What is the SMILES notation for 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride?
The canonical SMILES for 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride is CN(C)CCOCC(O)c1ccc(Oc2ccccc2Cl)cc1.Cl.
What is the InChIKey of 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride?
The InChIKey is CFPBNBNDMRHGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3.ClH/c1-20(2)11-12-22-13-17(21)14-7-9-15(10-8-14)23-18-6-4-3-5-16(18)19;/h3-10,17,21H,11-13H2,1-2H3;1H.
What are the key properties of 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride?
1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride has a molecular weight of 372.29 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride is sourced from PubChem (CID 3076599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).