2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C16H25N3O — CID 115486277

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CC(CN)CC2C)c1C
InChIInChI=1S/C16H25N3O/c1-11-5-4-6-15(13(11)3)18-16(20)10-19-9-14(8-17)7-12(19)2/h4-6,12,14H,7-10,17H2,1-3H3,(H,18,20)
InChIKeyUTBHCUCCFAQSIJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.91
Rot. Bonds4

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 115486277) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID115486277
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CC(CN)CC2C)c1C
InChIInChI=1S/C16H25N3O/c1-11-5-4-6-15(13(11)3)18-16(20)10-19-9-14(8-17)7-12(19)2/h4-6,12,14H,7-10,17H2,1-3H3,(H,18,20)
InChIKeyUTBHCUCCFAQSIJ-UHFFFAOYSA-N
XLogP1.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-methylphenyl)acetamide
CID 115486471
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 115486117
N-(2,3-dimethylphenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81212627
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(3-bromophenyl)acetamide
CID 115486110
N-(2,3-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898054
N-(2,3-dimethylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963336
N-(2,3-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]acetamide
CID 8929916
1-[2-(2,3-dimethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441823
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 11930966
N-(2,3-dimethylphenyl)-2-(3-fluoropyrrolidin-1-yl)acetamide
CID 171327633
2-(2,5-dimethylmorpholin-4-yl)-N-(2-methylphenyl)acetamide
CID 134007228
N-(2,3-dimethylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81492808

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 115486277) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cccc(NC(=O)CN2CC(CN)CC2C)c1C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is UTBHCUCCFAQSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-5-4-6-15(13(11)3)18-16(20)10-19-9-14(8-17)7-12(19)2/h4-6,12,14H,7-10,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 115486277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).