2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide

C14H21N3O — CID 55097569

IUPAC2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNCCN1CCCC1
InChIInChI=1S/C14H21N3O/c15-14(18)13-6-2-1-5-12(13)11-16-7-10-17-8-3-4-9-17/h1-2,5-6,16H,3-4,7-11H2,(H2,15,18)
InChIKeyDHYSOWFWXBUOGB-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.97
Rot. Bonds6

About 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide

2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide (PubChem CID 55097569) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide.

Molecular Properties

Compound Name2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
PubChem CID55097569
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNCCN1CCCC1
InChIInChI=1S/C14H21N3O/c15-14(18)13-6-2-1-5-12(13)11-16-7-10-17-8-3-4-9-17/h1-2,5-6,16H,3-4,7-11H2,(H2,15,18)
InChIKeyDHYSOWFWXBUOGB-UHFFFAOYSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
2-fluoro-N'-hydroxy-3-[(2-pyrrolidin-1-ylethylamino)methyl]benzenecarboximidamide
CID 107116916
2-[[2-(cyclohexen-1-yl)ethylamino]methyl]benzamide
CID 55061824
2-[(6-hydroxyhexylamino)methyl]benzamide
CID 114009117
N-[(2-nitrophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28654094
2-[(cyclohexylmethylamino)methyl]benzamide
CID 43371551
3-amino-2-(2-pyrrolidin-1-ylethylamino)benzamide
CID 112578815
2-[(benzylamino)methyl]benzamide
CID 22341819
3-[4-[(2-carbamoylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43522420
2-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60697098
2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
CID 79395029
2-(2-pyrrolidin-1-ylethyl)benzene-1,3-dicarboxamide
CID 69180819

Frequently Asked Questions

What is the IUPAC name of 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide?
The IUPAC name of 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide (CID 55097569) is 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide.
What is the SMILES notation for 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide?
The canonical SMILES for 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide is NC(=O)c1ccccc1CNCCN1CCCC1.
What is the InChIKey of 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide?
The InChIKey is DHYSOWFWXBUOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(18)13-6-2-1-5-12(13)11-16-7-10-17-8-3-4-9-17/h1-2,5-6,16H,3-4,7-11H2,(H2,15,18).
What are the key properties of 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide?
2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide has a molecular weight of 247.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-pyrrolidin-1-ylethylamino)methyl]benzamide is sourced from PubChem (CID 55097569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).