2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one

C18H28N2O — CID 115432155

IUPAC2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCCC1c1ccccc1C
InChIInChI=1S/C18H28N2O/c1-4-18(5-2,13-19)17(21)20-12-8-11-16(20)15-10-7-6-9-14(15)3/h6-7,9-10,16H,4-5,8,11-13,19H2,1-3H3
InChIKeyPTVDDXUNYCWRPB-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.42
Rot. Bonds5

About 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one

2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 115432155) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
PubChem CID115432155
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
SMILESCCC(CC)(CN)C(=O)N1CCCC1c1ccccc1C
InChIInChI=1S/C18H28N2O/c1-4-18(5-2,13-19)17(21)20-12-8-11-16(20)15-10-7-6-9-14(15)3/h6-7,9-10,16H,4-5,8,11-13,19H2,1-3H3
InChIKeyPTVDDXUNYCWRPB-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2-dimethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 115426438
2-(aminomethyl)-2-ethyl-1-(2-thiophen-2-ylpyrrolidin-1-yl)butan-1-one
CID 115432019
2-(aminomethyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one
CID 65227296
[1-(aminomethyl)cyclobutyl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 115448109
tert-butyl 2-(2-methylphenyl)pyrrolidine-1-carboxylate;ethane
CID 144843357
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 120787268
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
2-(cyclopropylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 54872354
3-chloro-2-methyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 62727967
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
[2-(2-methylphenyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 60947724
2-(cyclopropylmethylamino)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 60947838

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one (CID 115432155) is 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one is CCC(CC)(CN)C(=O)N1CCCC1c1ccccc1C.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is PTVDDXUNYCWRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-18(5-2,13-19)17(21)20-12-8-11-16(20)15-10-7-6-9-14(15)3/h6-7,9-10,16H,4-5,8,11-13,19H2,1-3H3.
What are the key properties of 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one?
2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-1-[2-(2-methylphenyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 115432155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).