2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone

C16H24N2O — CID 116851302

IUPAC2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone
SMILESCC(C)Cc1ccc(C(N)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)11-13-5-7-14(8-6-13)15(17)16(19)18-9-3-4-10-18/h5-8,12,15H,3-4,9-11,17H2,1-2H3
InChIKeyRPEGYHSBTGHERN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.51
Rot. Bonds4

About 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone

2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone (PubChem CID 116851302) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone
PubChem CID116851302
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone
SMILESCC(C)Cc1ccc(C(N)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H24N2O/c1-12(2)11-13-5-7-14(8-6-13)15(17)16(19)18-9-3-4-10-18/h5-8,12,15H,3-4,9-11,17H2,1-2H3
InChIKeyRPEGYHSBTGHERN-UHFFFAOYSA-N
XLogP2.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
2-amino-3-(4-ethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 116851361
(2R)-2-amino-3-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 59968912
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898929
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
(2S)-2-amino-1-(azetidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 150668199
(2R)-2-amino-3-(4-iodophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 58648589
(2S)-2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 61148035
(2S)-2-amino-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 142904155

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone (CID 116851302) is 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone is CC(C)Cc1ccc(C(N)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is RPEGYHSBTGHERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)11-13-5-7-14(8-6-13)15(17)16(19)18-9-3-4-10-18/h5-8,12,15H,3-4,9-11,17H2,1-2H3.
What are the key properties of 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone?
2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 260.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 116851302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).