1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone

C16H24N2O2 — CID 63300204

IUPAC1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
SMILESCCN(CCOc1ccccc1C(C)=O)C1CCNC1
InChIInChI=1S/C16H24N2O2/c1-3-18(14-8-9-17-12-14)10-11-20-16-7-5-4-6-15(16)13(2)19/h4-7,14,17H,3,8-12H2,1-2H3
InChIKeyRNLHWUVVCSCBHU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.95
Rot. Bonds7

About 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone

1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone (PubChem CID 63300204) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
PubChem CID63300204
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone
SMILESCCN(CCOc1ccccc1C(C)=O)C1CCNC1
InChIInChI=1S/C16H24N2O2/c1-3-18(14-8-9-17-12-14)10-11-20-16-7-5-4-6-15(16)13(2)19/h4-7,14,17H,3,8-12H2,1-2H3
InChIKeyRNLHWUVVCSCBHU-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[cyclopropyl(ethyl)amino]ethoxy]phenyl]ethanone
CID 43426605
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidin-3-amine
CID 55245884
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
1-[2-[2-[cycloheptyl(methyl)amino]ethoxy]phenyl]ethanone
CID 43233074
N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 63300307
2-[2-[cyclopentyl(ethyl)amino]ethoxy]benzohydrazide
CID 63574053
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
CID 66184304
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
1-[2-[2-[cyclopropylmethyl(propyl)amino]ethoxy]phenyl]ethanone
CID 60689525
1-[2-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]ethoxy]phenyl]ethanone
CID 94177929
N-(2-ethoxyethyl)-N-ethylpyrrolidin-3-amine
CID 63300351

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone (CID 63300204) is 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone is CCN(CCOc1ccccc1C(C)=O)C1CCNC1.
What is the InChIKey of 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone?
The InChIKey is RNLHWUVVCSCBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18(14-8-9-17-12-14)10-11-20-16-7-5-4-6-15(16)13(2)19/h4-7,14,17H,3,8-12H2,1-2H3.
What are the key properties of 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone?
1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[ethyl(pyrrolidin-3-yl)amino]ethoxy]phenyl]ethanone is sourced from PubChem (CID 63300204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).