N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide

C13H19N3O — CID 16779298

IUPACN-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESNCc1cccc(NC(=O)CN2CCCC2)c1
InChIInChI=1S/C13H19N3O/c14-9-11-4-3-5-12(8-11)15-13(17)10-16-6-1-2-7-16/h3-5,8H,1-2,6-7,9-10,14H2,(H,15,17)
InChIKeyXINWPYWYRAIXDT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.18
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide

N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 16779298) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID16779298
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
SMILESNCc1cccc(NC(=O)CN2CCCC2)c1
InChIInChI=1S/C13H19N3O/c14-9-11-4-3-5-12(8-11)15-13(17)10-16-6-1-2-7-16/h3-5,8H,1-2,6-7,9-10,14H2,(H,15,17)
InChIKeyXINWPYWYRAIXDT-UHFFFAOYSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-morpholin-4-ylacetamide
CID 16779234
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
N-[3-(aminomethyl)phenyl]-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440797
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-[3-(aminomethyl)phenyl]-2-(2-methylpiperidin-1-yl)acetamide
CID 16779184
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531213
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814565
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide (CID 16779298) is N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide is NCc1cccc(NC(=O)CN2CCCC2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is XINWPYWYRAIXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-9-11-4-3-5-12(8-11)15-13(17)10-16-6-1-2-7-16/h3-5,8H,1-2,6-7,9-10,14H2,(H,15,17).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide?
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 233.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 16779298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).