1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide

C15H23N3O — CID 43576049

IUPAC1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1ccccc1CN
InChIInChI=1S/C15H23N3O/c1-17(2)15(19)14-8-5-9-18(14)11-13-7-4-3-6-12(13)10-16/h3-4,6-7,14H,5,8-11,16H2,1-2H3
InChIKeyOLUWTNAHVHKJNX-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.20
Rot. Bonds4

About 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 43576049) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID43576049
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1Cc1ccccc1CN
InChIInChI=1S/C15H23N3O/c1-17(2)15(19)14-8-5-9-18(14)11-13-7-4-3-6-12(13)10-16/h3-4,6-7,14H,5,8-11,16H2,1-2H3
InChIKeyOLUWTNAHVHKJNX-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581
1-[(2-amino-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575443
1-[(3-aminophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575439
1-[3-(aminomethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43574359
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
1-[(3-amino-4-hydroxyphenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575433
N,N-dimethyl-1-[[2-(methylaminomethyl)-1H-benzimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
CID 142232803
(2R)-1-[[4-(2-cyanophenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 25479714
(2R)-1-benzyl-N-methoxy-N-methylpyrrolidine-2-carboxamide
CID 91756900
1-[[3-(aminomethyl)-2-fluorophenyl]methyl]piperidine-2-carboxamide
CID 107113264
1-[(3-amino-5-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 103349926
ethyl 3-[[(2R)-2-(dimethylcarbamoyl)pyrrolidin-1-yl]methyl]-1-benzofuran-2-carboxylate
CID 34929643

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 43576049) is 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1Cc1ccccc1CN.
What is the InChIKey of 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is OLUWTNAHVHKJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(2)15(19)14-8-5-9-18(14)11-13-7-4-3-6-12(13)10-16/h3-4,6-7,14H,5,8-11,16H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)phenyl]methyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 43576049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).