2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone

C14H20N2O — CID 83630061

IUPAC2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC1CCc1ccccc1
InChIInChI=1S/C14H20N2O/c15-11-14(17)16-10-4-7-13(16)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2
InChIKeyLWDSHRFZUKFCOW-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone

2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone (PubChem CID 83630061) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
PubChem CID83630061
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC1CCc1ccccc1
InChIInChI=1S/C14H20N2O/c15-11-14(17)16-10-4-7-13(16)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2
InChIKeyLWDSHRFZUKFCOW-UHFFFAOYSA-N
XLogP1.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methoxy-1-[2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 120588727
4-amino-3-methoxy-1-[2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120588726
4-(2-phenylethoxy)-1-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one
CID 95761632
N-[2-oxo-2-[2-(2-phenylethyl)pyrrolidin-1-yl]ethyl]benzamide
CID 47066258
[2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethyl]urea
CID 70715527
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 63395803
1-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 63395853
2-methoxyethyl (2R)-2-(2-phenylethyl)piperidine-1-carboxylate
CID 95724358
N,N-dimethyl-2-oxo-2-[2-(2-phenylethyl)piperidin-1-yl]ethanesulfonamide
CID 84600963
1-[(2S)-2-(2-phenylethyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 97101247
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone (CID 83630061) is 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone is NCC(=O)N1CCCC1CCc1ccccc1.
What is the InChIKey of 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is LWDSHRFZUKFCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-11-14(17)16-10-4-7-13(16)9-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2.
What are the key properties of 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone?
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 83630061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).