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

C15H22ClFN2 — CID 114454759

IUPAC1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCCN1CCC(CNC)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-3-5-19-6-4-11(10-18-2)15(19)12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,3-6,10H2,1-2H3
InChIKeyRVBWTYMHZUKXEF-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.47
Rot. Bonds5

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

1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 114454759) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID114454759
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCCCN1CCC(CNC)C1c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-3-5-19-6-4-11(10-18-2)15(19)12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,3-6,10H2,1-2H3
InChIKeyRVBWTYMHZUKXEF-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-chloro-5-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114454757
1-[2-(4-chloro-2-fluorophenyl)-1-ethylpyrrolidin-3-yl]-N-methylmethanamine
CID 114866587
2-(3,5-difluorophenyl)-1-propylazepan-3-amine
CID 106534377
2-(3-chloro-5-fluorophenyl)-1-(2-methylpropyl)pyrrolidin-3-amine
CID 114454821
1-[2-(2-bromo-5-chlorophenyl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66160939
1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 115350578
1-[1-ethyl-2-(2-methylquinolin-6-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 105379565
1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
N-[[3-(3-chloro-5-fluorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 114454764
1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine
CID 104505134
(2R,3S)-2-(4-chloro-3-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 178196605
1-[3-(4-chloro-2-fluorophenyl)-4-propylmorpholin-2-yl]-N-methylmethanamine
CID 114866612

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine (CID 114454759) is 1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine is CCCN1CCC(CNC)C1c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is RVBWTYMHZUKXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-5-19-6-4-11(10-18-2)15(19)12-7-13(16)9-14(17)8-12/h7-9,11,15,18H,3-6,10H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine?
1-[2-(3-chloro-5-fluorophenyl)-1-propylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.47, 5 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-propylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 114454759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).