2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline

C17H22FN3 — CID 43565230

IUPAC2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
SMILESCCCNCc1ccc(N(C)Cc2ccccn2)c(F)c1
InChIInChI=1S/C17H22FN3/c1-3-9-19-12-14-7-8-17(16(18)11-14)21(2)13-15-6-4-5-10-20-15/h4-8,10-11,19H,3,9,12-13H2,1-2H3
InChIKeyUJIKEAVNQZTZDX-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.36
Rot. Bonds7

About 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline

2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline (PubChem CID 43565230) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
PubChem CID43565230
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
SMILESCCCNCc1ccc(N(C)Cc2ccccn2)c(F)c1
InChIInChI=1S/C17H22FN3/c1-3-9-19-12-14-7-8-17(16(18)11-14)21(2)13-15-6-4-5-10-20-15/h4-8,10-11,19H,3,9,12-13H2,1-2H3
InChIKeyUJIKEAVNQZTZDX-UHFFFAOYSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 81147198
4-fluoro-N-methyl-2-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline
CID 43565214
4-(bromomethyl)-2-fluoro-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 107080376
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-3-ylmethyl)aniline
CID 43563618
3-fluoro-4-[methyl(pyridin-2-ylmethyl)amino]benzaldehyde
CID 43565130
2-[2-fluoro-N-methyl-4-(propylaminomethyl)anilino]ethanol
CID 54879383
N-methyl-3-(propylaminomethyl)-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62283787
4-[(2-methoxyethylamino)methyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63060220
N-[[2-methyl-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62431761
2-fluoro-N-(3-fluorophenyl)-N-methyl-4-(propylaminomethyl)aniline
CID 63551967
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107555954
N-[[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]furan-2-yl]methyl]propan-1-amine
CID 62431944

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline (CID 43565230) is 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline is CCCNCc1ccc(N(C)Cc2ccccn2)c(F)c1.
What is the InChIKey of 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is UJIKEAVNQZTZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-3-9-19-12-14-7-8-17(16(18)11-14)21(2)13-15-6-4-5-10-20-15/h4-8,10-11,19H,3,9,12-13H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline?
2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 287.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-4-(propylaminomethyl)-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 43565230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).