1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine

C26H28FNO2 — CID 67842525

IUPAC1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1ccc(-c2ccc(OCCN3CCCC3)cc2)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C26H28FNO2/c1-29-25-12-13-26(22(19-25)18-20-4-8-23(27)9-5-20)21-6-10-24(11-7-21)30-17-16-28-14-2-3-15-28/h4-13,19H,2-3,14-18H2,1H3
InChIKeyUKOJZZQXKIEGJH-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.57
Rot. Bonds8

About 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine

1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine (PubChem CID 67842525) has the molecular formula C26H28FNO2 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine
PubChem CID67842525
Molecular FormulaC26H28FNO2
Molecular Weight405.51 g/mol
Exact Mass405.21
IUPAC Name1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1ccc(-c2ccc(OCCN3CCCC3)cc2)c(Cc2ccc(F)cc2)c1
InChIInChI=1S/C26H28FNO2/c1-29-25-12-13-26(22(19-25)18-20-4-8-23(27)9-5-20)21-6-10-24(11-7-21)30-17-16-28-14-2-3-15-28/h4-13,19H,2-3,14-18H2,1H3
InChIKeyUKOJZZQXKIEGJH-UHFFFAOYSA-N
XLogP5.57
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
(2R)-2-(4-methoxy-2-methylsulfanylphenyl)-3-[2-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]phenyl]propan-1-ol
CID 163908328
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
[2-(4-fluorophenyl)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 100980643
1-[2-[4-(4-fluoro-3-methoxyphenyl)phenoxy]ethyl]pyrrolidine
CID 70094877
1-[2-(4-fluorophenoxy)ethyl]-4-[(4-methoxyphenyl)methyl]piperidine;hydrochloride
CID 23294491
1-[2-[4-[2-[4-(cyclopropylmethyl)phenyl]-6-methoxynaphthalen-1-yl]oxyphenoxy]ethyl]piperidine
CID 58691217
1-[2-[4-(6-methoxy-3,4-dihydronaphthalen-1-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
CID 142632919
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 23300067
1-[2-[4-[1-[2-(2,4-difluorophenyl)-6-methoxynaphthalen-1-yl]ethenyl]phenoxy]ethyl]piperidine
CID 143085015

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine (CID 67842525) is 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine is COc1ccc(-c2ccc(OCCN3CCCC3)cc2)c(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine?
The InChIKey is UKOJZZQXKIEGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FNO2/c1-29-25-12-13-26(22(19-25)18-20-4-8-23(27)9-5-20)21-6-10-24(11-7-21)30-17-16-28-14-2-3-15-28/h4-13,19H,2-3,14-18H2,1H3.
What are the key properties of 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine?
1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine has a molecular weight of 405.51 g/mol, XLogP of 5.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[(4-fluorophenyl)methyl]-4-methoxyphenyl]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 67842525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).