(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone

C15H23N3O — CID 62889117

IUPAC(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
SMILESCN(C)CC1CCCN1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-17(2)11-13-9-6-10-18(13)15(19)14(16)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11,16H2,1-2H3/t13?,14-/m1/s1
InChIKeyLKMYJKFTDSHPKT-ARLHGKGLSA-N
MW261.37 g/mol
LogP1.24
Rot. Bonds4

About (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone

(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone (PubChem CID 62889117) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
PubChem CID62889117
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone
SMILESCN(C)CC1CCCN1C(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-17(2)11-13-9-6-10-18(13)15(19)14(16)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11,16H2,1-2H3/t13?,14-/m1/s1
InChIKeyLKMYJKFTDSHPKT-ARLHGKGLSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 61409346
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 104905114
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-2-phenylethanone
CID 117045936
(2R)-2-amino-1-(2-cyclohexylpyrrolidin-1-yl)-2-phenylethanone
CID 61164920
1-(2-amino-2-phenylacetyl)-N-methylpyrrolidine-2-carboxamide
CID 60953274
methyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylpropanoate
CID 64567719
2-amino-1-[2-[[benzyl(methyl)amino]methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144167
2-[(dimethylamino)methyl]-N'-phenylpyrrolidine-1-carboximidamide
CID 62889862
3-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-one
CID 107217984
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone?
The IUPAC name of (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone (CID 62889117) is (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone.
What is the SMILES notation for (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone?
The canonical SMILES for (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone is CN(C)CC1CCCN1C(=O)[C@H](N)c1ccccc1.
What is the InChIKey of (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone?
The InChIKey is LKMYJKFTDSHPKT-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)11-13-9-6-10-18(13)15(19)14(16)12-7-4-3-5-8-12/h3-5,7-8,13-14H,6,9-11,16H2,1-2H3/t13?,14-/m1/s1.
What are the key properties of (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone?
(2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone has a molecular weight of 261.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 62889117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).