(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine

C13H18ClFN2 — CID 124526744

IUPAC(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@@H](N)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFN2/c1-8(2)17-6-5-12(16)13(17)9-3-4-10(14)11(15)7-9/h3-4,7-8,12-13H,5-6,16H2,1-2H3/t12-,13-/m1/s1
InChIKeyICBHPSKIKLGCED-CHWSQXEVSA-N
MW256.75 g/mol
LogP2.96
Rot. Bonds2

About (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine

(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 124526744) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
PubChem CID124526744
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CC[C@@H](N)[C@H]1c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H18ClFN2/c1-8(2)17-6-5-12(16)13(17)9-3-4-10(14)11(15)7-9/h3-4,7-8,12-13H,5-6,16H2,1-2H3/t12-,13-/m1/s1
InChIKeyICBHPSKIKLGCED-CHWSQXEVSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 178196605
cis-(1S,3R)-3-[[2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066287
(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
CID 95359014
(2S,3S)-2-(4-chloro-3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 95359042
(2R,3S)-2-(3-aminophenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196704
4-[[[2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-yl]amino]methyl]benzamide
CID 102561127
(2R,3R)-2-(4-chloro-3-fluorophenyl)-N-(3-methylsulfonylpropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 124857843
(2S,3S)-2-(4-chloro-3-fluorophenyl)-N-(3-methylsulfonylpropyl)-1-propan-2-ylpyrrolidin-3-amine
CID 99799973
(4S,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 95328761
(2S,3R)-2-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-amine
CID 178196562
5-(3-amino-1-propan-2-ylazepan-2-yl)-2-fluorobenzonitrile
CID 107936990
[2-(3-fluoro-4-methoxyphenyl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
CID 65101265

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine (CID 124526744) is (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CC[C@@H](N)[C@H]1c1ccc(Cl)c(F)c1.
What is the InChIKey of (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is ICBHPSKIKLGCED-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-8(2)17-6-5-12(16)13(17)9-3-4-10(14)11(15)7-9/h3-4,7-8,12-13H,5-6,16H2,1-2H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine?
(2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 256.75 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 124526744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).