2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride

C14H21Cl2N3O — CID 119927205

IUPAC2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC1CCCN1CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O.ClH/c15-12-5-3-11(4-6-12)9-17-14(19)10-18-7-1-2-13(18)8-16;/h3-6,13H,1-2,7-10,16H2,(H,17,19);1H
InChIKeyYQUUBSGDPFLGRD-UHFFFAOYSA-N
MW318.25 g/mol
LogP1.80
Rot. Bonds5

About 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride (PubChem CID 119927205) has the molecular formula C14H21Cl2N3O and a molecular weight of 318.25 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
PubChem CID119927205
Molecular FormulaC14H21Cl2N3O
Molecular Weight318.25 g/mol
Exact Mass317.11
IUPAC Name2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
SMILESCl.NCC1CCCN1CC(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H20ClN3O.ClH/c15-12-5-3-11(4-6-12)9-17-14(19)10-18-7-1-2-13(18)8-16;/h3-6,13H,1-2,7-10,16H2,(H,17,19);1H
InChIKeyYQUUBSGDPFLGRD-UHFFFAOYSA-N
XLogP1.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 81493296
2-[2-(aminomethyl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916095
N-[(4-chlorophenyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2421761
2-[2-(aminomethyl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119916023
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120728492
2-[2-(methylaminomethyl)pyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119928642
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[4-(methoxymethyl)phenyl]methyl]acetamide
CID 110921460
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530947
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride (CID 119927205) is 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride is Cl.NCC1CCCN1CC(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is YQUUBSGDPFLGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O.ClH/c15-12-5-3-11(4-6-12)9-17-14(19)10-18-7-1-2-13(18)8-16;/h3-6,13H,1-2,7-10,16H2,(H,17,19);1H.
What are the key properties of 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride?
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 318.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119927205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).