1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone

C16H24N2O2 — CID 63299582

IUPAC1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
SMILESCCN(Cc1cc(C(C)=O)ccc1OC)C1CCNC1
InChIInChI=1S/C16H24N2O2/c1-4-18(15-7-8-17-10-15)11-14-9-13(12(2)19)5-6-16(14)20-3/h5-6,9,15,17H,4,7-8,10-11H2,1-3H3
InChIKeyHWPKBJMHJQCYIR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.08
Rot. Bonds6

About 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone

1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone (PubChem CID 63299582) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
PubChem CID63299582
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone
SMILESCCN(Cc1cc(C(C)=O)ccc1OC)C1CCNC1
InChIInChI=1S/C16H24N2O2/c1-4-18(15-7-8-17-10-15)11-14-9-13(12(2)19)5-6-16(14)20-3/h5-6,9,15,17H,4,7-8,10-11H2,1-3H3
InChIKeyHWPKBJMHJQCYIR-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-methoxy-3-[[methyl(piperidin-4-yl)amino]methyl]phenyl]ethanone
CID 43607598
1-[3-[[azetidin-3-yl(ethyl)amino]methyl]-4-ethoxyphenyl]ethanone
CID 66182584
5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
N-[(4-bromo-2,5-dimethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63300212
N-ethyl-N-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 60807135
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
1-[3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-4-methoxyphenyl]ethanone
CID 60911414
3-[(5-acetyl-2-methoxyphenyl)methyl-cyclopropylamino]propanoic acid
CID 60839543
N-[(3-ethyl-4-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 115118917
N-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 63299916
2-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-fluorophenol
CID 107699202
1-[4-methoxy-3-[(2-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 62673685

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone (CID 63299582) is 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone is CCN(Cc1cc(C(C)=O)ccc1OC)C1CCNC1.
What is the InChIKey of 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone?
The InChIKey is HWPKBJMHJQCYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-18(15-7-8-17-10-15)11-14-9-13(12(2)19)5-6-16(14)20-3/h5-6,9,15,17H,4,7-8,10-11H2,1-3H3.
What are the key properties of 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone?
1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[ethyl(pyrrolidin-3-yl)amino]methyl]-4-methoxyphenyl]ethanone is sourced from PubChem (CID 63299582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).