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

C14H21FN2 — CID 113418178

IUPAC1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCCC1CCN(c2ccc(F)cc2CNC)C1
InChIInChI=1S/C14H21FN2/c1-3-11-6-7-17(10-11)14-5-4-13(15)8-12(14)9-16-2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyUDAYABNQOJCKLO-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.78
Rot. Bonds4

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

1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 113418178) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
PubChem CID113418178
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
SMILESCCC1CCN(c2ccc(F)cc2CNC)C1
InChIInChI=1S/C14H21FN2/c1-3-11-6-7-17(10-11)14-5-4-13(15)8-12(14)9-16-2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3
InChIKeyUDAYABNQOJCKLO-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

1-[5-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]-N-methylmethanamine
CID 114853468
N-[[2-(3-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43584751
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-fluorophenyl]-N-methylmethanamine
CID 43620568
N-[[2-(4-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060090
1-[2-(4-ethylpiperazin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 43313848
[1-[4-fluoro-2-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-yl]methanol
CID 112626558
2-[1-[2-[(tert-butylamino)methyl]-4-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 114798666
1-[2-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]-N-methylmethanamine
CID 63158482
1-[5-chloro-2-(4-ethylazepan-1-yl)phenyl]-N-methylmethanamine
CID 114851678
7-[4-fluoro-2-(methylaminomethyl)phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091585
[1-[4-fluoro-2-(methylaminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61411386
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 63634984

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine (CID 113418178) is 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine is CCC1CCN(c2ccc(F)cc2CNC)C1.
What is the InChIKey of 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is UDAYABNQOJCKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-3-11-6-7-17(10-11)14-5-4-13(15)8-12(14)9-16-2/h4-5,8,11,16H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 113418178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).