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

C21H25NO — CID 70011661

IUPAC2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine
SMILESC=C(c1ccccc1)c1cc(CC)ccc1OCC1CCCN1
InChIInChI=1S/C21H25NO/c1-3-17-11-12-21(23-15-19-10-7-13-22-19)20(14-17)16(2)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19,22H,2-3,7,10,13,15H2,1H3
InChIKeyBCKUMBMTNHXGCO-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.44
Rot. Bonds6

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

2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine (PubChem CID 70011661) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine.

Molecular Properties

Compound Name2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine
PubChem CID70011661
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine
SMILESC=C(c1ccccc1)c1cc(CC)ccc1OCC1CCCN1
InChIInChI=1S/C21H25NO/c1-3-17-11-12-21(23-15-19-10-7-13-22-19)20(14-17)16(2)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19,22H,2-3,7,10,13,15H2,1H3
InChIKeyBCKUMBMTNHXGCO-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
(2S)-2-[(2-phenylphenoxy)methyl]pyrrolidine
CID 28750068
2-[[(2R)-pyrrolidin-2-yl]methoxy]benzonitrile
CID 94406444
[2-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]methanol
CID 102820156
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
3-(dimethylamino)-4-(pyrrolidin-2-ylmethoxy)benzoic acid
CID 141036407
(2S)-2-[(2-propan-2-ylphenoxy)methyl]pyrrolidine
CID 28750009
5-ethyl-2-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208156
(2R)-2-[(5-fluoro-2-methoxyphenoxy)methyl]pyrrolidine
CID 67315733
(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
CID 102820009
(2R)-2-[(3,5-dimethylphenoxy)methyl]pyrrolidine
CID 59628765
(2R)-2-[[2-(trifluoromethoxy)phenoxy]methyl]pyrrolidine
CID 102820256

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine?
The IUPAC name of 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine (CID 70011661) is 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine.
What is the SMILES notation for 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine?
The canonical SMILES for 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine is C=C(c1ccccc1)c1cc(CC)ccc1OCC1CCCN1.
What is the InChIKey of 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine?
The InChIKey is BCKUMBMTNHXGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-17-11-12-21(23-15-19-10-7-13-22-19)20(14-17)16(2)18-8-5-4-6-9-18/h4-6,8-9,11-12,14,19,22H,2-3,7,10,13,15H2,1H3.
What are the key properties of 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine?
2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine has a molecular weight of 307.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-2-(1-phenylethenyl)phenoxy]methyl]pyrrolidine is sourced from PubChem (CID 70011661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).