4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

C15H24FN3 — CID 79318214

IUPAC4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN(CC1CCCN1C)c1ccc(CCN)cc1F
InChIInChI=1S/C15H24FN3/c1-18-9-3-4-13(18)11-19(2)15-6-5-12(7-8-17)10-14(15)16/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3
InChIKeyZJBIYPSTDMBHDY-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.86
Rot. Bonds5

About 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline

4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 79318214) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID79318214
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN(CC1CCCN1C)c1ccc(CCN)cc1F
InChIInChI=1S/C15H24FN3/c1-18-9-3-4-13(18)11-19(2)15-6-5-12(7-8-17)10-14(15)16/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3
InChIKeyZJBIYPSTDMBHDY-UHFFFAOYSA-N
XLogP1.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline (CID 79318214) is 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is CN(CC1CCCN1C)c1ccc(CCN)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is ZJBIYPSTDMBHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-18-9-3-4-13(18)11-19(2)15-6-5-12(7-8-17)10-14(15)16/h5-6,10,13H,3-4,7-9,11,17H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline?
4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 265.38 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-fluoro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 79318214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).