2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

C16H25N3O — CID 62889985

IUPAC2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)CC1CCCN1C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-18(2)12-14-9-6-10-19(14)16(20)15(17)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3
InChIKeyXNXJENXXMRMNDF-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.11
Rot. Bonds5

About 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one

2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (PubChem CID 62889985) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
PubChem CID62889985
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
SMILESCN(C)CC1CCCN1C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H25N3O/c1-18(2)12-14-9-6-10-19(14)16(20)15(17)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3
InChIKeyXNXJENXXMRMNDF-UHFFFAOYSA-N
XLogP1.11
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104905114
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 62889117
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62478502
(2S)-2-amino-3-phenyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053177
methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-3-phenylpropan-1-one
CID 117045939
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-amine
CID 62889171
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 79309506
2-amino-1-[2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144167
benzyl N-[[(2R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
CID 96554000

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one (CID 62889985) is 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is CN(C)CC1CCCN1C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is XNXJENXXMRMNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)12-14-9-6-10-19(14)16(20)15(17)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12,17H2,1-2H3.
What are the key properties of 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one?
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 62889985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).