1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride

C23H28ClNO2 — CID 142632919

IUPAC1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
SMILESCOc1ccc2c(c1)CCC=C2c1ccc(OCCN2CCCC2)cc1.Cl
InChIInChI=1S/C23H27NO2.ClH/c1-25-21-11-12-23-19(17-21)5-4-6-22(23)18-7-9-20(10-8-18)26-16-15-24-13-2-3-14-24;/h6-12,17H,2-5,13-16H2,1H3;1H
InChIKeyLHHGHLSAAMTYGE-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.97
Rot. Bonds6

About 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride

1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride (PubChem CID 142632919) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
PubChem CID142632919
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC Name1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
SMILESCOc1ccc2c(c1)CCC=C2c1ccc(OCCN2CCCC2)cc1.Cl
InChIInChI=1S/C23H27NO2.ClH/c1-25-21-11-12-23-19(17-21)5-4-6-22(23)18-7-9-20(10-8-18)26-16-15-24-13-2-3-14-24;/h6-12,17H,2-5,13-16H2,1H3;1H
InChIKeyLHHGHLSAAMTYGE-UHFFFAOYSA-N
XLogP4.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-yl]methanol
CID 71218483
[6-methoxy-2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 12017123
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
[2-(3-chloro-4-methoxyphenyl)-6-methoxy-3,4-dihydronaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 18182621
1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine
CID 67842525
6-methoxy-2-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 22960586
[6-methoxy-2-(4-methoxyphenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanol
CID 10207050
1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68514257
1-[2-[4-[2-(4-ethylsulfonylphenyl)-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine;hydrochloride
CID 68518332
1-[2-[4-(4-fluoro-3-methoxyphenyl)phenoxy]ethyl]pyrrolidine
CID 70094877
1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 23300067
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride (CID 142632919) is 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride is COc1ccc2c(c1)CCC=C2c1ccc(OCCN2CCCC2)cc1.Cl.
What is the InChIKey of 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride?
The InChIKey is LHHGHLSAAMTYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2.ClH/c1-25-21-11-12-23-19(17-21)5-4-6-22(23)18-7-9-20(10-8-18)26-16-15-24-13-2-3-14-24;/h6-12,17H,2-5,13-16H2,1H3;1H.
What are the key properties of 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride?
1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 142632919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).