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

C16H20Cl2N2O — CID 120806325

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
SMILESCC1(CN)CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H20Cl2N2O/c1-16(8-19)4-5-20(9-16)15(21)12-7-11(12)10-2-3-13(17)14(18)6-10/h2-3,6,11-12H,4-5,7-9,19H2,1H3
InChIKeyRIUPAHUGFMEUKP-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.29
Rot. Bonds3

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

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone (PubChem CID 120806325) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.26 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
PubChem CID120806325
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.26 g/mol
Exact Mass326.10
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone
SMILESCC1(CN)CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H20Cl2N2O/c1-16(8-19)4-5-20(9-16)15(21)12-7-11(12)10-2-3-13(17)14(18)6-10/h2-3,6,11-12H,4-5,7-9,19H2,1H3
InChIKeyRIUPAHUGFMEUKP-UHFFFAOYSA-N
XLogP3.29
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone (CID 120806325) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone is CC1(CN)CCN(C(=O)C2CC2c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone?
The InChIKey is RIUPAHUGFMEUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O/c1-16(8-19)4-5-20(9-16)15(21)12-7-11(12)10-2-3-13(17)14(18)6-10/h2-3,6,11-12H,4-5,7-9,19H2,1H3.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone has a molecular weight of 327.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(3,4-dichlorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 120806325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).