[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone

C14H20N2O — CID 55029111

IUPAC[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O/c1-2-13-4-3-9-16(13)14(17)12-7-5-11(10-15)6-8-12/h5-8,13H,2-4,9-10,15H2,1H3
InChIKeyCNILIBZLOCFSBK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.16
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone

[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 55029111) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID55029111
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)c1ccc(CN)cc1
InChIInChI=1S/C14H20N2O/c1-2-13-4-3-9-16(13)14(17)12-7-5-11(10-15)6-8-12/h5-8,13H,2-4,9-10,15H2,1H3
InChIKeyCNILIBZLOCFSBK-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
N-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]acetamide
CID 110671105
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[4-(aminomethyl)phenyl]methanone
CID 43627930
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
1-[4-(aminomethyl)benzoyl]-3-methylpiperidine-2-carboxylic acid
CID 107068830
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
[4-(aminomethyl)phenyl]-[(2R)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]methanone
CID 125134428

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone (CID 55029111) is [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)c1ccc(CN)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is CNILIBZLOCFSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-13-4-3-9-16(13)14(17)12-7-5-11(10-15)6-8-12/h5-8,13H,2-4,9-10,15H2,1H3.
What are the key properties of [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone?
[4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 232.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55029111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).