2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol

C17H23NO2 — CID 3076644

IUPAC2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol
SMILESCc1cc(C(O)COCCN(C)C)cc2ccccc12
InChIInChI=1S/C17H23NO2/c1-13-10-15(11-14-6-4-5-7-16(13)14)17(19)12-20-9-8-18(2)3/h4-7,10-11,17,19H,8-9,12H2,1-3H3
InChIKeyYYIIKSXJEKQIMZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds6

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

2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol (PubChem CID 3076644) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol
PubChem CID3076644
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol
SMILESCc1cc(C(O)COCCN(C)C)cc2ccccc12
InChIInChI=1S/C17H23NO2/c1-13-10-15(11-14-6-4-5-7-16(13)14)17(19)12-20-9-8-18(2)3/h4-7,10-11,17,19H,8-9,12H2,1-3H3
InChIKeyYYIIKSXJEKQIMZ-UHFFFAOYSA-N
XLogP2.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenoxyphenyl)ethanol;hydrochloride
CID 3076591
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(dimethylamino)ethoxy]ethanol
CID 3076624
2-[2-(dimethylamino)ethoxy]-1-(furan-3-yl)ethanol;hydrochloride
CID 3076649
2-[2-(dimethylamino)ethoxy]-1-thiophen-2-ylethanol
CID 3076675
1-[4-(2-chlorophenoxy)phenyl]-2-[2-(dimethylamino)ethoxy]ethanol;hydrochloride
CID 3076599
3-(difluoromethyl)-1-methylnaphthalene
CID 118018854
[1-[2-(dimethylamino)ethoxy]isoquinolin-3-yl]methanol
CID 61254873
2-(dimethylamino)ethyl anthracene-9-carboxylate
CID 71404240
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
N,N-dimethyl-2-(2-naphthalen-1-ylethoxy)ethanamine;hydrochloride
CID 22666549

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol (CID 3076644) is 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol is Cc1cc(C(O)COCCN(C)C)cc2ccccc12.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol?
The InChIKey is YYIIKSXJEKQIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-13-10-15(11-14-6-4-5-7-16(13)14)17(19)12-20-9-8-18(2)3/h4-7,10-11,17,19H,8-9,12H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol?
2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol has a molecular weight of 273.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-1-(4-methylnaphthalen-2-yl)ethanol is sourced from PubChem (CID 3076644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).