3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline

C15H18FN3 — CID 106532278

IUPAC3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cc(F)cc(CCN)c1
InChIInChI=1S/C15H18FN3/c1-19(11-13-3-2-6-18-10-13)15-8-12(4-5-17)7-14(16)9-15/h2-3,6-10H,4-5,11,17H2,1H3
InChIKeyXPEKFVAHSXOGMN-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.36
Rot. Bonds5

About 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline

3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 106532278) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID106532278
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCN(Cc1cccnc1)c1cc(F)cc(CCN)c1
InChIInChI=1S/C15H18FN3/c1-19(11-13-3-2-6-18-10-13)15-8-12(4-5-17)7-14(16)9-15/h2-3,6-10H,4-5,11,17H2,1H3
InChIKeyXPEKFVAHSXOGMN-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
CID 114084177
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 106532176
2-(2-aminoethyl)-5-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 55237548
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
4-fluoro-5-iodo-2-N-methyl-2-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 66099878
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934994
4-fluoro-5-methoxy-1-N-methyl-1-N-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 55215876
2-fluoro-4-N-methyl-4-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 115124006

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline (CID 106532278) is 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline is CN(Cc1cccnc1)c1cc(F)cc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is XPEKFVAHSXOGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-19(11-13-3-2-6-18-10-13)15-8-12(4-5-17)7-14(16)9-15/h2-3,6-10H,4-5,11,17H2,1H3.
What are the key properties of 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline?
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 259.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 106532278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).