4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one

C16H24N2O2 — CID 120562159

IUPAC4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
SMILESCOc1ccccc1C1CCCN1C(=O)CCC(C)N
InChIInChI=1S/C16H24N2O2/c1-12(17)9-10-16(19)18-11-5-7-14(18)13-6-3-4-8-15(13)20-2/h3-4,6,8,12,14H,5,7,9-11,17H2,1-2H3
InChIKeyWAORITQWIAFMGB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.49
Rot. Bonds5

About 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one

4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one (PubChem CID 120562159) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
PubChem CID120562159
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
SMILESCOc1ccccc1C1CCCN1C(=O)CCC(C)N
InChIInChI=1S/C16H24N2O2/c1-12(17)9-10-16(19)18-11-5-7-14(18)13-6-3-4-8-15(13)20-2/h3-4,6,8,12,14H,5,7,9-11,17H2,1-2H3
InChIKeyWAORITQWIAFMGB-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120500295
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625391
4-amino-1-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 120562051
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003
1-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 125156811
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771470
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 118763073
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119771459

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one (CID 120562159) is 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one is COc1ccccc1C1CCCN1C(=O)CCC(C)N.
What is the InChIKey of 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one?
The InChIKey is WAORITQWIAFMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(17)9-10-16(19)18-11-5-7-14(18)13-6-3-4-8-15(13)20-2/h3-4,6,8,12,14H,5,7,9-11,17H2,1-2H3.
What are the key properties of 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one?
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one is sourced from PubChem (CID 120562159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).