2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone

C14H20N2O — CID 81322086

IUPAC2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2ccccc2CN)C1
InChIInChI=1S/C14H20N2O/c1-11-6-7-16(10-11)14(17)8-12-4-2-3-5-13(12)9-15/h2-5,11H,6-10,15H2,1H3
InChIKeyIKWHOCCVTCGRII-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.56
Rot. Bonds3

About 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone

2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone (PubChem CID 81322086) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
PubChem CID81322086
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2ccccc2CN)C1
InChIInChI=1S/C14H20N2O/c1-11-6-7-16(10-11)14(17)8-12-4-2-3-5-13(12)9-15/h2-5,11H,6-10,15H2,1H3
InChIKeyIKWHOCCVTCGRII-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(aminomethyl)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 81322694
2-[2-(aminomethyl)phenyl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 81322397
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
2-[2-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 81322025
2-[2-(aminomethyl)phenyl]-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 81312460
2-[2-(aminomethyl)phenyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81318146
1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867427
2-[2-(aminomethyl)phenyl]-1-thiomorpholin-4-ylethanone
CID 81318157
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400
2-[2-(aminomethyl)phenyl]-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 81322765
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 114678070
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone (CID 81322086) is 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone is CC1CCN(C(=O)Cc2ccccc2CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is IKWHOCCVTCGRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-7-16(10-11)14(17)8-12-4-2-3-5-13(12)9-15/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone?
2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone has a molecular weight of 232.33 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 81322086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).