2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide

C15H22ClN3O2 — CID 115486113

IUPAC2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CC(CN)CC1C
InChIInChI=1S/C15H22ClN3O2/c1-10-5-11(7-17)8-19(10)9-15(20)18-13-6-12(16)3-4-14(13)21-2/h3-4,6,10-11H,5,7-9,17H2,1-2H3,(H,18,20)
InChIKeyGYBQXYHQUZIQDZ-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.96
Rot. Bonds5

About 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 115486113) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID115486113
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1CC(CN)CC1C
InChIInChI=1S/C15H22ClN3O2/c1-10-5-11(7-17)8-19(10)9-15(20)18-13-6-12(16)3-4-14(13)21-2/h3-4,6,10-11H,5,7-9,17H2,1-2H3,(H,18,20)
InChIKeyGYBQXYHQUZIQDZ-UHFFFAOYSA-N
XLogP1.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2088175
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 115486117
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3302526
N-(5-chloro-2-methoxyphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647977
N-(5-chloro-2-methoxyphenyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 7940760
2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66217565
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 46595482
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
methyl 2-[1-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperidin-2-yl]acetate
CID 60524285

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 115486113) is 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1CC(CN)CC1C.
What is the InChIKey of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is GYBQXYHQUZIQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10-5-11(7-17)8-19(10)9-15(20)18-13-6-12(16)3-4-14(13)21-2/h3-4,6,10-11H,5,7-9,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.96, 5 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-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 115486113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).