1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine

C13H18ClFN2 — CID 82299762

IUPAC1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(N)C(c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C13H18ClFN2/c1-9(16)13(17-7-2-3-8-17)12-10(14)5-4-6-11(12)15/h4-6,9,13H,2-3,7-8,16H2,1H3
InChIKeyFQWNLCQFVDIJFJ-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.96
Rot. Bonds3

About 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine

1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 82299762) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID82299762
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(N)C(c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C13H18ClFN2/c1-9(16)13(17-7-2-3-8-17)12-10(14)5-4-6-11(12)15/h4-6,9,13H,2-3,7-8,16H2,1H3
InChIKeyFQWNLCQFVDIJFJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-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

3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82120592
1-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171163132
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
2-(2-chloro-6-fluorophenyl)-2-(4,4-dimethylazepan-1-yl)ethanamine
CID 65283784
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
(2S)-2-(2-chloro-6-fluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]ethanamine
CID 124552537
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 82299762) is 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine is CC(N)C(c1c(F)cccc1Cl)N1CCCC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is FQWNLCQFVDIJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-9(16)13(17-7-2-3-8-17)12-10(14)5-4-6-11(12)15/h4-6,9,13H,2-3,7-8,16H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine?
1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 256.75 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 82299762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).