3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline

C15H19N3 — CID 62969270

IUPAC3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1cccc(CN)c1
InChIInChI=1S/C15H19N3/c1-18(10-7-13-5-8-17-9-6-13)15-4-2-3-14(11-15)12-16/h2-6,8-9,11H,7,10,12,16H2,1H3
InChIKeyUMZQMVPSYKFAJN-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.22
Rot. Bonds5

About 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline

3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 62969270) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID62969270
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCN(CCc1ccncc1)c1cccc(CN)c1
InChIInChI=1S/C15H19N3/c1-18(10-7-13-5-8-17-9-6-13)15-4-2-3-14(11-15)12-16/h2-6,8-9,11H,7,10,12,16H2,1H3
InChIKeyUMZQMVPSYKFAJN-UHFFFAOYSA-N
XLogP2.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 110454688
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridin-3-amine
CID 115486899
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 82537728
5-(aminomethyl)-N,3-dimethyl-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 80630342
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylaniline
CID 102813812
3-(aminomethyl)-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889710
5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carbothioamide
CID 115488282
6-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazin-3-amine
CID 62285835
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
[2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]methanol
CID 62134201
5-methoxy-3-N-methyl-3-N-(2-pyridin-4-ylethyl)benzene-1,3-diamine
CID 80730242
3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
CID 114084177

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 62969270) is 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline is CN(CCc1ccncc1)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is UMZQMVPSYKFAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18(10-7-13-5-8-17-9-6-13)15-4-2-3-14(11-15)12-16/h2-6,8-9,11H,7,10,12,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 241.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 62969270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).