2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride

C16H26ClN3O — CID 120772553

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)c1ccccc1)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-13(19-10-9-16(2,11-17)12-19)15(20)18(3)14-7-5-4-6-8-14;/h4-8,13H,9-12,17H2,1-3H3;1H
InChIKeyDHVLSAZATJQWQC-UHFFFAOYSA-N
MW311.86 g/mol
LogP2.13
Rot. Bonds4

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride (PubChem CID 120772553) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride
PubChem CID120772553
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride
SMILESCC(C(=O)N(C)c1ccccc1)N1CCC(C)(CN)C1.Cl
InChIInChI=1S/C16H25N3O.ClH/c1-13(19-10-9-16(2,11-17)12-19)15(20)18(3)14-7-5-4-6-8-14;/h4-8,13H,9-12,17H2,1-3H3;1H
InChIKeyDHVLSAZATJQWQC-UHFFFAOYSA-N
XLogP2.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-methyl-N-phenylpropanamide;hydrochloride
CID 120775307
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-benzhydrylpropanamide
CID 120772324
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)propanamide;hydrochloride
CID 120771900
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpropanamide
CID 120773039
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2,6-diethylphenyl)propanamide
CID 120771521
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120772241
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-ethylphenyl)propanamide;hydrochloride
CID 120771539
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(N-methylanilino)phenyl]methanone;hydrochloride
CID 120810010
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 120772820
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-propylpropanamide
CID 120772123
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-tert-butylpropanamide
CID 120771899
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120772793

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride (CID 120772553) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride is CC(C(=O)N(C)c1ccccc1)N1CCC(C)(CN)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride?
The InChIKey is DHVLSAZATJQWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.ClH/c1-13(19-10-9-16(2,11-17)12-19)15(20)18(3)14-7-5-4-6-8-14;/h4-8,13H,9-12,17H2,1-3H3;1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-phenylpropanamide;hydrochloride has a molecular weight of 311.86 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 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-methyl-N-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120772553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).