2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone

C19H30N2O2 — CID 119124991

IUPAC2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCCC(CC)CNCc1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C19H30N2O2/c1-3-16(4-2)13-20-14-17-9-5-6-10-18(17)23-15-19(22)21-11-7-8-12-21/h5-6,9-10,16,20H,3-4,7-8,11-15H2,1-2H3
InChIKeyHKKGEVFZWGFBTJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.21
Rot. Bonds9

About 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 119124991) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID119124991
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESCCC(CC)CNCc1ccccc1OCC(=O)N1CCCC1
InChIInChI=1S/C19H30N2O2/c1-3-16(4-2)13-20-14-17-9-5-6-10-18(17)23-15-19(22)21-11-7-8-12-21/h5-6,9-10,16,20H,3-4,7-8,11-15H2,1-2H3
InChIKeyHKKGEVFZWGFBTJ-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 32663181
2-[2-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 111469398
2-[2-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119128849
2-[2-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119109310
2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 47008163
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
2-[4-fluoro-2-(propylaminomethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 107695945
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
2-[2-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119123813
2-[2-[[2-(2-methoxy-5-methylphenyl)ethylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119109358
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 119124991) is 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone is CCC(CC)CNCc1ccccc1OCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is HKKGEVFZWGFBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-3-16(4-2)13-20-14-17-9-5-6-10-18(17)23-15-19(22)21-11-7-8-12-21/h5-6,9-10,16,20H,3-4,7-8,11-15H2,1-2H3.
What are the key properties of 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 318.46 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 119124991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).