[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone

C13H16Cl2N2O — CID 115491945

IUPAC[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
SMILESCC1CC(CN)CN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-8-5-9(6-16)7-17(8)13(18)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,16H2,1H3
InChIKeyVUPACOCCZIYQEQ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.80
Rot. Bonds2

About [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone (PubChem CID 115491945) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
PubChem CID115491945
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone
SMILESCC1CC(CN)CN1C(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-8-5-9(6-16)7-17(8)13(18)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,16H2,1H3
InChIKeyVUPACOCCZIYQEQ-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(3-chlorophenyl)methanone
CID 113322421
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 115491792
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-quinoxalin-5-ylmethanone
CID 104615552
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-chlorophenyl)methanone
CID 103840455
[2-(aminomethyl)-4-ethylpiperidin-1-yl]-(2,3-dichlorophenyl)methanone
CID 103352346
[5-(aminomethyl)-2-methylpiperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830805
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(5-chloro-2-nitrophenyl)methanone
CID 115491876
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 115491771
[3-(aminomethyl)piperidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 119464789
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-fluoro-4-methylphenyl)methanone
CID 113322480
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 103840438
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 113322442

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone?
The IUPAC name of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone (CID 115491945) is [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone?
The canonical SMILES for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone is CC1CC(CN)CN1C(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone?
The InChIKey is VUPACOCCZIYQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-8-5-9(6-16)7-17(8)13(18)10-3-2-4-11(14)12(10)15/h2-4,8-9H,5-7,16H2,1H3.
What are the key properties of [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone?
[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone has a molecular weight of 287.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-2-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 115491945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).