1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine

C14H20ClFN2 — CID 114454757

IUPAC1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H20ClFN2/c1-3-18-5-4-10(9-17-2)14(18)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,3-5,9H2,1-2H3
InChIKeyNIPVPPXRTBYUFQ-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.08
Rot. Bonds4

About 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine

1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 114454757) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID114454757
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C14H20ClFN2/c1-3-18-5-4-10(9-17-2)14(18)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,3-5,9H2,1-2H3
InChIKeyNIPVPPXRTBYUFQ-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine (CID 114454757) is 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine is CCN1CCC(CNC)C1c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is NIPVPPXRTBYUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-3-18-5-4-10(9-17-2)14(18)11-6-12(15)8-13(16)7-11/h6-8,10,14,17H,3-5,9H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 270.78 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114454757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).