2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline

C15H19N3 — CID 43563493

IUPAC2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCC(N)c1ccccc1N(C)Cc1cccnc1
InChIInChI=1S/C15H19N3/c1-12(16)14-7-3-4-8-15(14)18(2)11-13-6-5-9-17-10-13/h3-10,12H,11,16H2,1-2H3
InChIKeyRPXCIJDREGUOQP-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.74
Rot. Bonds4

About 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline

2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline (PubChem CID 43563493) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
PubChem CID43563493
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline
SMILESCC(N)c1ccccc1N(C)Cc1cccnc1
InChIInChI=1S/C15H19N3/c1-12(16)14-7-3-4-8-15(14)18(2)11-13-6-5-9-17-10-13/h3-10,12H,11,16H2,1-2H3
InChIKeyRPXCIJDREGUOQP-UHFFFAOYSA-N
XLogP2.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-aminoethyl]-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934994
2-[(1S)-1-aminoethyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 78934710
N-methyl-2-[(propan-2-ylamino)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 43563622
4-[(1R)-1-aminoethyl]-2-bromo-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934682
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 78934917
2-[(1R)-1-aminoethyl]-N-[(4-chlorophenyl)methyl]-N-methylaniline
CID 78934580
2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63369359
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
1-[2-(2-pyridin-3-ylethoxy)phenyl]ethanamine
CID 63264533
1-[2-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanol
CID 43563565
2-(aminomethyl)-3-chloro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 43563639

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline (CID 43563493) is 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline is CC(N)c1ccccc1N(C)Cc1cccnc1.
What is the InChIKey of 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is RPXCIJDREGUOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-12(16)14-7-3-4-8-15(14)18(2)11-13-6-5-9-17-10-13/h3-10,12H,11,16H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline?
2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline has a molecular weight of 241.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-methyl-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 43563493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).