3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine

C17H26ClN3 — CID 62980197

IUPAC3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
SMILESCC(c1ccccc1Cl)N(C)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C17H26ClN3/c1-13(15-5-3-4-6-16(15)18)20(2)17(11-19)9-10-21(12-17)14-7-8-14/h3-6,13-14H,7-12,19H2,1-2H3
InChIKeyQVBMEJKBAUBUOP-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.90
Rot. Bonds5

About 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine

3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine (PubChem CID 62980197) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
PubChem CID62980197
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine
SMILESCC(c1ccccc1Cl)N(C)C1(CN)CCN(C2CC2)C1
InChIInChI=1S/C17H26ClN3/c1-13(15-5-3-4-6-16(15)18)20(2)17(11-19)9-10-21(12-17)14-7-8-14/h3-6,13-14H,7-12,19H2,1-2H3
InChIKeyQVBMEJKBAUBUOP-UHFFFAOYSA-N
XLogP2.90
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine (CID 62980197) is 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine is CC(c1ccccc1Cl)N(C)C1(CN)CCN(C2CC2)C1.
What is the InChIKey of 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine?
The InChIKey is QVBMEJKBAUBUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-13(15-5-3-4-6-16(15)18)20(2)17(11-19)9-10-21(12-17)14-7-8-14/h3-6,13-14H,7-12,19H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine?
3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine has a molecular weight of 307.87 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(2-chlorophenyl)ethyl]-1-cyclopropyl-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 62980197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).