2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

C16H25N3O — CID 63589407

IUPAC2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H25N3O/c1-2-19-9-3-4-15(19)12-18-16(20)10-13-5-7-14(11-17)8-6-13/h5-8,15H,2-4,9-12,17H2,1H3,(H,18,20)
InChIKeyZRUMOJSEPUEDOQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.29
Rot. Bonds6

About 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide

2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (PubChem CID 63589407) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
PubChem CID63589407
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
SMILESCCN1CCCC1CNC(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C16H25N3O/c1-2-19-9-3-4-15(19)12-18-16(20)10-13-5-7-14(11-17)8-6-13/h5-8,15H,2-4,9-12,17H2,1H3,(H,18,20)
InChIKeyZRUMOJSEPUEDOQ-UHFFFAOYSA-N
XLogP1.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 61399758
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
N-[4-[2-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 92707737
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]furan-2-carboxamide
CID 94017739
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 24706556
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
3-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119952665
2-amino-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 55244322
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide (CID 63589407) is 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is CCN1CCCC1CNC(=O)Cc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
The InChIKey is ZRUMOJSEPUEDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-19-9-3-4-15(19)12-18-16(20)10-13-5-7-14(11-17)8-6-13/h5-8,15H,2-4,9-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide?
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide is sourced from PubChem (CID 63589407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).