4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline

C15H18FN3 — CID 54945465

IUPAC4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
SMILESCN(CCc1ccncc1)Cc1cc(F)ccc1N
InChIInChI=1S/C15H18FN3/c1-19(9-6-12-4-7-18-8-5-12)11-13-10-14(16)2-3-15(13)17/h2-5,7-8,10H,6,9,11,17H2,1H3
InChIKeyZKBUNEMSUBNTLR-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.48
Rot. Bonds5

About 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline

4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline (PubChem CID 54945465) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
PubChem CID54945465
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline
SMILESCN(CCc1ccncc1)Cc1cc(F)ccc1N
InChIInChI=1S/C15H18FN3/c1-19(9-6-12-4-7-18-8-5-12)11-13-10-14(16)2-3-15(13)17/h2-5,7-8,10H,6,9,11,17H2,1H3
InChIKeyZKBUNEMSUBNTLR-UHFFFAOYSA-N
XLogP2.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline?
The IUPAC name of 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline (CID 54945465) is 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline?
The canonical SMILES for 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline is CN(CCc1ccncc1)Cc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline?
The InChIKey is ZKBUNEMSUBNTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19(9-6-12-4-7-18-8-5-12)11-13-10-14(16)2-3-15(13)17/h2-5,7-8,10H,6,9,11,17H2,1H3.
What are the key properties of 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline?
4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline has a molecular weight of 259.33 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[[methyl(2-pyridin-4-ylethyl)amino]methyl]aniline is sourced from PubChem (CID 54945465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).