1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine

C14H20ClFN2 — CID 114866587

IUPAC1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFN2/c1-3-18-7-6-10(9-17-2)14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10,14,17H,3,6-7,9H2,1-2H3
InChIKeyGHLLFIVAWWPYRA-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.08
Rot. Bonds4

About 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine

1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 114866587) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID114866587
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCN1CCC(CNC)C1c1ccc(Cl)cc1F
InChIInChI=1S/C14H20ClFN2/c1-3-18-7-6-10(9-17-2)14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10,14,17H,3,6-7,9H2,1-2H3
InChIKeyGHLLFIVAWWPYRA-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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Related Compounds

1-[2-(4-chloro-2-fluorophenyl)-1-ethylpiperidin-3-yl]-N-methylmethanamine
CID 114866557
1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454757
1-[2-(2-chloro-6-methoxyphenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 104818684
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612
1-[2-(4-bromo-2-nitrophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114385767
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454759
1-[1-ethyl-2-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 113329210
2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
1-[2-(5-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114860003
1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 105379565
1-[2-(4-bromo-5-methylthiophen-2-yl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 102844581

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine (CID 114866587) is 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine is CCN1CCC(CNC)C1c1ccc(Cl)cc1F.
What is the InChIKey of 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is GHLLFIVAWWPYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-3-18-7-6-10(9-17-2)14(18)12-5-4-11(15)8-13(12)16/h4-5,8,10,14,17H,3,6-7,9H2,1-2H3.
What are the key properties of 1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine?
1-[2-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114866587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).