2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride

C18H30ClN3O — CID 120771900

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCC(C)c1ccccc1NC(=O)C(C)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-13(2)15-7-5-6-8-16(15)20-17(22)14(3)21-10-9-18(4,11-19)12-21;/h5-8,13-14H,9-12,19H2,1-4H3,(H,20,22);1H
InChIKeyFQTIXLWGQXQROU-UHFFFAOYSA-N
MW339.91 g/mol
LogP3.23
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride (PubChem CID 120771900) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
PubChem CID120771900
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
SMILESCC(C)c1ccccc1NC(=O)C(C)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-13(2)15-7-5-6-8-16(15)20-17(22)14(3)21-10-9-18(4,11-19)12-21;/h5-8,13-14H,9-12,19H2,1-4H3,(H,20,22);1H
InChIKeyFQTIXLWGQXQROU-UHFFFAOYSA-N
XLogP3.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide;hydrochloride
CID 120773515
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120772361
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 120771478
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride
CID 120772553
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)propanamide
CID 120771976
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]propanamide
CID 120771397
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride (CID 120771900) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride is CC(C)c1ccccc1NC(=O)C(C)N1CCC(C)(CN)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride?
The InChIKey is FQTIXLWGQXQROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-13(2)15-7-5-6-8-16(15)20-17(22)14(3)21-10-9-18(4,11-19)12-21;/h5-8,13-14H,9-12,19H2,1-4H3,(H,20,22);1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 120771900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).