2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one

C16H24N2O2 — CID 115579711

IUPAC2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCc1ccc(CNC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-13(16(19)18-9-3-4-10-18)17-11-14-5-7-15(8-6-14)12-20-2/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyIVGAGSKYPXGMCW-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.93
Rot. Bonds6

About 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one

2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115579711) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115579711
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOCc1ccc(CNC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O2/c1-13(16(19)18-9-3-4-10-18)17-11-14-5-7-15(8-6-14)12-20-2/h5-8,13,17H,3-4,9-12H2,1-2H3
InChIKeyIVGAGSKYPXGMCW-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631
2-[(4-nitrophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 60875208
2-[(4-prop-2-enoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615290
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615288
2-[(4-fluoro-3-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112683720
2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62997460
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
2-[[4-(methoxymethyl)phenyl]methylamino]-N-(2-methylpropyl)propanamide
CID 115579712
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 115579711) is 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one is COCc1ccc(CNC(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IVGAGSKYPXGMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(16(19)18-9-3-4-10-18)17-11-14-5-7-15(8-6-14)12-20-2/h5-8,13,17H,3-4,9-12H2,1-2H3.
What are the key properties of 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one?
2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)phenyl]methylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115579711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).