1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide

C14H20ClN3O — CID 62500743

IUPAC1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1cccc(Cl)c1CN
InChIInChI=1S/C14H20ClN3O/c1-17(2)14(19)13-7-4-8-18(13)12-6-3-5-11(15)10(12)9-16/h3,5-6,13H,4,7-9,16H2,1-2H3
InChIKeyJSQNCWXNRGPQTQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.86
Rot. Bonds3

About 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 62500743) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID62500743
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1c1cccc(Cl)c1CN
InChIInChI=1S/C14H20ClN3O/c1-17(2)14(19)13-7-4-8-18(13)12-6-3-5-11(15)10(12)9-16/h3,5-6,13H,4,7-9,16H2,1-2H3
InChIKeyJSQNCWXNRGPQTQ-UHFFFAOYSA-N
XLogP1.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-3-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 104834158
(2S)-1-[2-(2,6-dichlorophenyl)acetyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 136584493
(2S)-1-(4,5-diamino-2-chlorophenyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 129391550
1-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 54934284
[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-chlorophenyl]methanamine
CID 43628404
1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43574359
1-(4-aminophenyl)-N,N-dimethylpiperidine-2-carboxamide
CID 89155190
1-[3-chloro-2-[(2-methoxyethylamino)methyl]phenyl]pyrrolidine-2-carboxamide
CID 63058753
4-[2-(aminomethyl)-3-chlorophenyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097593
4-[2-(aminomethyl)-3-chlorophenyl]-N-methylmorpholine-3-carboxamide
CID 83106780
[2-chloro-6-(2-pyridin-4-ylpyrrolidin-1-yl)phenyl]methanamine
CID 62500745
(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 93173237

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 62500743) is 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1c1cccc(Cl)c1CN.
What is the InChIKey of 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is JSQNCWXNRGPQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-17(2)14(19)13-7-4-8-18(13)12-6-3-5-11(15)10(12)9-16/h3,5-6,13H,4,7-9,16H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-chlorophenyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62500743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).