2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine

C13H18ClFN2 — CID 114488962

IUPAC2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(N)C1c1cccc(Cl)c1F
InChIInChI=1S/C13H18ClFN2/c1-2-7-17-8-6-11(16)13(17)9-4-3-5-10(14)12(9)15/h3-5,11,13H,2,6-8,16H2,1H3
InChIKeyOZWSHTSBCPERSU-UHFFFAOYSA-N
MW256.75 g/mol
LogP2.96
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine

2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine (PubChem CID 114488962) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine
PubChem CID114488962
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine
SMILESCCCN1CCC(N)C1c1cccc(Cl)c1F
InChIInChI=1S/C13H18ClFN2/c1-2-7-17-8-6-11(16)13(17)9-4-3-5-10(14)12(9)15/h3-5,11,13H,2,6-8,16H2,1H3
InChIKeyOZWSHTSBCPERSU-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

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 114488972
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 178196605
2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine
CID 115960452
(2R,3S)-2-(3-aminophenyl)-1-propylpyrrolidin-3-amine
CID 178199859
3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine
CID 144941855
(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
CID 178196697
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 114488895
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 114488894
2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
CID 114055150
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 114488890
3-(3-chloro-2-fluorophenyl)-1-methylpyrrolidine
CID 67173873
6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
CID 114488949

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine (CID 114488962) is 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine is CCCN1CCC(N)C1c1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine?
The InChIKey is OZWSHTSBCPERSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-2-7-17-8-6-11(16)13(17)9-4-3-5-10(14)12(9)15/h3-5,11,13H,2,6-8,16H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine?
2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-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 2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine is sourced from PubChem (CID 114488962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).