2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide

C15H23N3O — CID 106615202

IUPAC2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
SMILESCCN(Cc1ccccc1C(N)=O)CC1CCCN1
InChIInChI=1S/C15H23N3O/c1-2-18(11-13-7-5-9-17-13)10-12-6-3-4-8-14(12)15(16)19/h3-4,6,8,13,17H,2,5,7,9-11H2,1H3,(H2,16,19)
InChIKeyQCSAWJCLYJZPFR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.36
Rot. Bonds6

About 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide

2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide (PubChem CID 106615202) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
PubChem CID106615202
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
SMILESCCN(Cc1ccccc1C(N)=O)CC1CCCN1
InChIInChI=1S/C15H23N3O/c1-2-18(11-13-7-5-9-17-13)10-12-6-3-4-8-14(12)15(16)19/h3-4,6,8,13,17H,2,5,7,9-11H2,1H3,(H2,16,19)
InChIKeyQCSAWJCLYJZPFR-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
N-(naphthalen-1-ylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603263
3-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide
CID 106614911
N-[[2-(methoxymethyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603473
N-(pyrrolidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106603566
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106622610
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632656
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide (CID 106615202) is 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide is CCN(Cc1ccccc1C(N)=O)CC1CCCN1.
What is the InChIKey of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is QCSAWJCLYJZPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-18(11-13-7-5-9-17-13)10-12-6-3-4-8-14(12)15(16)19/h3-4,6,8,13,17H,2,5,7,9-11H2,1H3,(H2,16,19).
What are the key properties of 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide?
2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 261.37 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(pyrrolidin-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 106615202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).