1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine

C14H21FN2 — CID 106531107

IUPAC1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(N2CC(C)CC2C)c1
InChIInChI=1S/C14H21FN2/c1-10-4-11(2)17(9-10)14-6-12(8-16-3)5-13(15)7-14/h5-7,10-11,16H,4,8-9H2,1-3H3
InChIKeyBOUGTBVHNVAONR-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds3

About 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine

1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 106531107) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
PubChem CID106531107
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)cc(N2CC(C)CC2C)c1
InChIInChI=1S/C14H21FN2/c1-10-4-11(2)17(9-10)14-6-12(8-16-3)5-13(15)7-14/h5-7,10-11,16H,4,8-9H2,1-3H3
InChIKeyBOUGTBVHNVAONR-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine (CID 106531107) is 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)cc(N2CC(C)CC2C)c1.
What is the InChIKey of 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is BOUGTBVHNVAONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-10-4-11(2)17(9-10)14-6-12(8-16-3)5-13(15)7-14/h5-7,10-11,16H,4,8-9H2,1-3H3.
What are the key properties of 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 106531107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).