3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine

C14H19ClFN — CID 130439601

IUPAC3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C)CC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFN/c1-9(2)11-7-17(3)8-12(11)10-4-5-14(16)13(15)6-10/h4-6,9,11-12H,7-8H2,1-3H3
InChIKeyLLMUKFSKYISSAY-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.78
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine

3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine (PubChem CID 130439601) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine
PubChem CID130439601
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C)CC1c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H19ClFN/c1-9(2)11-7-17(3)8-12(11)10-4-5-14(16)13(15)6-10/h4-6,9,11-12H,7-8H2,1-3H3
InChIKeyLLMUKFSKYISSAY-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Chlorophenyl)-N-methyl-N-[2-(pyrrolidin-1-yl)ethyl]ethan-1-amine
CID 15113306
3-Azapentane, N-methyl-5-[4-chlorophenyl]-1-[pyrrolidin-1-yl]-
CID 558800
(3R,4S)-4-(4-Chloro-phenyl)-3-(3-fluoro-propyl)-1-methyl-piperidine
CID 11242662
1-(1-(3-chlorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53317146
(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53317168
(1-(4-chloro-3-fluorophenyl)cyclohexyl)-N,N-dimethylmethanamine
CID 53322409
(1-(3-chloro-4-fluorophenyl)cyclohexyl)-N-methylmethanamine
CID 53325042
4-[6-Chloro-3-(4-fluoro-phenyl)-3H-inden-1-yl]-1-methyl-piperidine
CID 15648961
4-[6-Chloro-3-(4-fluoro-phenyl)-3H-inden-1-yl]-1-methyl-1,2,3,6-tetrahydro-pyridine
CID 15648962
3-(3-chloro-4-fluorophenyl)-2,3,4,7-tetrahydro-1H-azepine
CID 71541195
1-[3-(4-Chlorophenyl)-4-phenylbutyl]pyrrolidine
CID 4887421
Phenethylamine, m-chloro-N,N-dimethyl-
CID 176469

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine (CID 130439601) is 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine is CC(C)C1CN(C)CC1c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine?
The InChIKey is LLMUKFSKYISSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-9(2)11-7-17(3)8-12(11)10-4-5-14(16)13(15)6-10/h4-6,9,11-12H,7-8H2,1-3H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine?
3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine has a molecular weight of 255.76 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-1-methyl-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 130439601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).