2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride

C16H24Cl3N3O — CID 120773926

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C16H23Cl2N3O.ClH/c1-16(10-19)5-6-21(11-16)9-15(22)20(2)8-12-3-4-13(17)14(18)7-12;/h3-4,7H,5-6,8-11,19H2,1-2H3;1H
InChIKeyXBVAOWDVQUTXAH-UHFFFAOYSA-N
MW380.75 g/mol
LogP3.04
Rot. Bonds5

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride (PubChem CID 120773926) has the molecular formula C16H24Cl3N3O and a molecular weight of 380.75 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
PubChem CID120773926
Molecular FormulaC16H24Cl3N3O
Molecular Weight380.75 g/mol
Exact Mass379.10
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(C)(CN)C1.Cl
InChIInChI=1S/C16H23Cl2N3O.ClH/c1-16(10-19)5-6-21(11-16)9-15(22)20(2)8-12-3-4-13(17)14(18)7-12;/h3-4,7H,5-6,8-11,19H2,1-2H3;1H
InChIKeyXBVAOWDVQUTXAH-UHFFFAOYSA-N
XLogP3.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.75
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 120773885
2-(4-aminopiperidin-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119908936
N-[(3,4-dichlorophenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 111123262
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]-N-propylacetamide;hydrochloride
CID 120772245
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[1-(4-chlorophenyl)ethyl]-N-methylacetamide;hydrochloride
CID 120773223
N-[(3,4-dichlorophenyl)methyl]-2-[4-(dimethylsulfamoyl)piperazin-1-yl]-N-methylacetamide
CID 34785448
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 120772056
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
CID 120773771
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 55412914
2-(1-aminocyclopentyl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 64685068
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 36853094
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride (CID 120773926) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CN1CCC(C)(CN)C1.Cl.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride?
The InChIKey is XBVAOWDVQUTXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O.ClH/c1-16(10-19)5-6-21(11-16)9-15(22)20(2)8-12-3-4-13(17)14(18)7-12;/h3-4,7H,5-6,8-11,19H2,1-2H3;1H.
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride has a molecular weight of 380.75 g/mol, XLogP of 3.04, 5 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-[(3,4-dichlorophenyl)methyl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 120773926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).