2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C16H25N3O2 — CID 115486469

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CC(CN)CC1C
InChIInChI=1S/C16H25N3O2/c1-12-7-13(8-17)10-19(12)11-16(20)18-9-14-5-3-4-6-15(14)21-2/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyFLPFQPWUNKNENV-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.98
Rot. Bonds6

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 115486469) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID115486469
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1CC(CN)CC1C
InChIInChI=1S/C16H25N3O2/c1-12-7-13(8-17)10-19(12)11-16(20)18-9-14-5-3-4-6-15(14)21-2/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)
InChIKeyFLPFQPWUNKNENV-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 115486170
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171704523
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
2-(2-formylpiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 62654429
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963608
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 98182224
methyl (3S)-2-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 8758482
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905867
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 43445280

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 115486469) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1CC(CN)CC1C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is FLPFQPWUNKNENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-7-13(8-17)10-19(12)11-16(20)18-9-14-5-3-4-6-15(14)21-2/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 115486469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).