2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone

C14H20N2O — CID 63590667

IUPAC2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2ccc(CN)cc2)C1
InChIInChI=1S/C14H20N2O/c1-11-6-7-16(10-11)14(17)8-12-2-4-13(9-15)5-3-12/h2-5,11H,6-10,15H2,1H3
InChIKeyAJBPIASRVVBXRD-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.56
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone

2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone (PubChem CID 63590667) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
PubChem CID63590667
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)Cc2ccc(CN)cc2)C1
InChIInChI=1S/C14H20N2O/c1-11-6-7-16(10-11)14(17)8-12-2-4-13(9-15)5-3-12/h2-5,11H,6-10,15H2,1H3
InChIKeyAJBPIASRVVBXRD-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

2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
2-[2-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 81322086
2-[4-(aminomethyl)phenyl]-1-(4-ethylpiperidin-1-yl)ethanone
CID 63591376
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390
2-[4-(aminomethyl)phenyl]-1-(4-propylpiperidin-1-yl)ethanone
CID 63590690
2-(4-hydroxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 110465876
2-[4-(2-methylpropoxy)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 86896685
2-[4-(aminomethyl)phenyl]-1-(4,4-dimethylpiperidin-1-yl)ethanone
CID 55214674
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(4-bromophenyl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 875891
1-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanone
CID 668860
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone (CID 63590667) is 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone is CC1CCN(C(=O)Cc2ccc(CN)cc2)C1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone?
The InChIKey is AJBPIASRVVBXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-6-7-16(10-11)14(17)8-12-2-4-13(9-15)5-3-12/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone?
2-[4-(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-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 63590667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).