2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide

C14H20ClN3O — CID 62062007

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILESNCC1CCN(CC(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c15-13-4-2-1-3-12(13)8-17-14(19)10-18-6-5-11(7-16)9-18/h1-4,11H,5-10,16H2,(H,17,19)
InChIKeyWREIWBBKMXSIOD-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.24
Rot. Bonds5

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide (PubChem CID 62062007) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
PubChem CID62062007
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
SMILESNCC1CCN(CC(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C14H20ClN3O/c15-13-4-2-1-3-12(13)8-17-14(19)10-18-6-5-11(7-16)9-18/h1-4,11H,5-10,16H2,(H,17,19)
InChIKeyWREIWBBKMXSIOD-UHFFFAOYSA-N
XLogP1.24
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 55064418
N-[(2-chlorophenyl)methyl]-2-[3-(fluoromethyl)piperidin-1-yl]acetamide
CID 171335089
N-[(2-chlorophenyl)methyl]-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetamide
CID 81495926
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 62063230
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethylpiperazin-1-yl)acetamide
CID 63872575
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 2455653
2-amino-N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119879595
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 62062896
N-[(2-chlorophenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 26567609
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
N-[(2-chlorophenyl)methyl]-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773522

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide (CID 62062007) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide is NCC1CCN(CC(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
The InChIKey is WREIWBBKMXSIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c15-13-4-2-1-3-12(13)8-17-14(19)10-18-6-5-11(7-16)9-18/h1-4,11H,5-10,16H2,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide has a molecular weight of 281.79 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 62062007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).