1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine

C21H25NO2 — CID 140665140

IUPAC1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
SMILESc1ccc2c(c1)CCC(c1ccc(OCCN3CCCC3)cc1)O2
InChIInChI=1S/C21H25NO2/c1-2-6-20-17(5-1)9-12-21(24-20)18-7-10-19(11-8-18)23-16-15-22-13-3-4-14-22/h1-2,5-8,10-11,21H,3-4,9,12-16H2
InChIKeyKOPMTTOVZWTOOG-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.23
Rot. Bonds5

About 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine

1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine (PubChem CID 140665140) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
PubChem CID140665140
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
SMILESc1ccc2c(c1)CCC(c1ccc(OCCN3CCCC3)cc1)O2
InChIInChI=1S/C21H25NO2/c1-2-6-20-17(5-1)9-12-21(24-20)18-7-10-19(11-8-18)23-16-15-22-13-3-4-14-22/h1-2,5-8,10-11,21H,3-4,9,12-16H2
InChIKeyKOPMTTOVZWTOOG-UHFFFAOYSA-N
XLogP4.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3,4-dihydro-2H-chromene
CID 157336431
1-[2-[4-(4-methyl-3-phenyl-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine
CID 14751389
1-[2-[4-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]cyclopropyl]phenoxy]ethyl]pyrrolidine;dihydrochloride
CID 70394734
3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-6-ol
CID 142952766
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
(5S,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10527520
1-[2-[4-[(1R,2R)-6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]pyrrolidine
CID 12018054
1-[2-[4-(2,2-dimethyl-3-phenyl-3,4-dihydrochromen-4-yl)phenoxy]ethyl]pyrrolidine
CID 57304704
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
calcium;carbonic acid;hydride;2-phenyl-3,4-dihydro-2H-chromene
CID 175471981
4-[(2R,3S,4S)-3-phenyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromen-2-yl]phenol
CID 46227281
1-[2-[4-(6H-[1]benzothiolo[3,2-c]chromen-6-yl)phenoxy]ethyl]piperidine
CID 10765621

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine (CID 140665140) is 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine is c1ccc2c(c1)CCC(c1ccc(OCCN3CCCC3)cc1)O2.
What is the InChIKey of 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine?
The InChIKey is KOPMTTOVZWTOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-2-6-20-17(5-1)9-12-21(24-20)18-7-10-19(11-8-18)23-16-15-22-13-3-4-14-22/h1-2,5-8,10-11,21H,3-4,9,12-16H2.
What are the key properties of 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine?
1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine has a molecular weight of 323.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3,4-dihydro-2H-chromen-2-yl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 140665140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).