5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol

C21H23NO2 — CID 57093862

IUPAC5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol
SMILESCOc1ccc(-c2ccc3c(CCN(C)C)cccc3c2O)cc1
InChIInChI=1S/C21H23NO2/c1-22(2)14-13-15-5-4-6-20-18(15)11-12-19(21(20)23)16-7-9-17(24-3)10-8-16/h4-12,23H,13-14H2,1-3H3
InChIKeyXJAYYKNZQDNLTN-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.33
Rot. Bonds5

About 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol

5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol (PubChem CID 57093862) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol
PubChem CID57093862
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol
SMILESCOc1ccc(-c2ccc3c(CCN(C)C)cccc3c2O)cc1
InChIInChI=1S/C21H23NO2/c1-22(2)14-13-15-5-4-6-20-18(15)11-12-19(21(20)23)16-7-9-17(24-3)10-8-16/h4-12,23H,13-14H2,1-3H3
InChIKeyXJAYYKNZQDNLTN-UHFFFAOYSA-N
XLogP4.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-naphthalen-1-ylnaphthalene
CID 10737250
2-[[2-hydroxy-3-(4-methoxyphenyl)phenyl]disulfanyl]-6-(4-methoxyphenyl)phenol
CID 161150699
1-ethyl-2,3-bis(4-methoxyphenyl)benzene
CID 54211857
1-(4-methoxyphenyl)-5-(4-methylphenyl)naphthalene
CID 142669243
6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol
CID 22145465
1,3,6,8-tetrakis(4-methoxyphenyl)pyrene-2,7-diol
CID 163210794
CID 177466340
CID 177466340
N,N-bis[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 68534392
N,N-diethyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 170604527
5-(4-methoxyphenyl)naphthalen-2-ol
CID 142144023
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
2-(5,6-dimethoxy-9,10-dihydrophenanthren-1-yl)-N,N-dimethylethanamine
CID 125482851

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol (CID 57093862) is 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol is COc1ccc(-c2ccc3c(CCN(C)C)cccc3c2O)cc1.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol?
The InChIKey is XJAYYKNZQDNLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-22(2)14-13-15-5-4-6-20-18(15)11-12-19(21(20)23)16-7-9-17(24-3)10-8-16/h4-12,23H,13-14H2,1-3H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol?
5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol has a molecular weight of 321.42 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)naphthalen-1-ol is sourced from PubChem (CID 57093862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).