1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine

C16H23ClFN3 — CID 82038574

IUPAC1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
SMILESNC1CCN(CC(c2c(F)cccc2Cl)N2CCCC2)C1
InChIInChI=1S/C16H23ClFN3/c17-13-4-3-5-14(18)16(13)15(21-7-1-2-8-21)11-20-9-6-12(19)10-20/h3-5,12,15H,1-2,6-11,19H2
InChIKeyOVIVXCVGPCYPKN-UHFFFAOYSA-N
MW311.83 g/mol
LogP2.65
Rot. Bonds4

About 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine

1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine (PubChem CID 82038574) has the molecular formula C16H23ClFN3 and a molecular weight of 311.83 g/mol. Its IUPAC name is 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
PubChem CID82038574
Molecular FormulaC16H23ClFN3
Molecular Weight311.83 g/mol
Exact Mass311.16
IUPAC Name1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
SMILESNC1CCN(CC(c2c(F)cccc2Cl)N2CCCC2)C1
InChIInChI=1S/C16H23ClFN3/c17-13-4-3-5-14(18)16(13)15(21-7-1-2-8-21)11-20-9-6-12(19)10-20/h3-5,12,15H,1-2,6-11,19H2
InChIKeyOVIVXCVGPCYPKN-UHFFFAOYSA-N
XLogP2.65
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.83
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]cyclopentanesulfonamide
CID 110304294
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 115559256
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine
CID 83978451
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171274071
2-(2,6-difluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 16791427
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
2-(2-chloro-6-fluorophenyl)-N-(methylsulfamoyl)-2-pyrrolidin-1-ylethanamine
CID 110623998

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine (CID 82038574) is 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine is NC1CCN(CC(c2c(F)cccc2Cl)N2CCCC2)C1.
What is the InChIKey of 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine?
The InChIKey is OVIVXCVGPCYPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3/c17-13-4-3-5-14(18)16(13)15(21-7-1-2-8-21)11-20-9-6-12(19)10-20/h3-5,12,15H,1-2,6-11,19H2.
What are the key properties of 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine?
1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine has a molecular weight of 311.83 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine is sourced from PubChem (CID 82038574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).