2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline

C17H23N3 — CID 115994911

IUPAC2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCCC(N)c1ccccc1N(C)CCc1ccncc1
InChIInChI=1S/C17H23N3/c1-3-16(18)15-6-4-5-7-17(15)20(2)13-10-14-8-11-19-12-9-14/h4-9,11-12,16H,3,10,13,18H2,1-2H3
InChIKeyRGBDTIPDBIBYGG-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.17
Rot. Bonds6

About 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline

2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline (PubChem CID 115994911) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
PubChem CID115994911
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
SMILESCCC(N)c1ccccc1N(C)CCc1ccncc1
InChIInChI=1S/C17H23N3/c1-3-16(18)15-6-4-5-7-17(15)20(2)13-10-14-8-11-19-12-9-14/h4-9,11-12,16H,3,10,13,18H2,1-2H3
InChIKeyRGBDTIPDBIBYGG-UHFFFAOYSA-N
XLogP3.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
2,3-dichloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 110454690
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
2-(1-aminoethyl)-4-bromo-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 82971650
(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
2-[(1S)-1-aminopropyl]-N-methyl-N-[(4-methylphenyl)methyl]aniline
CID 103958489
(1R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]phenyl]propan-1-ol
CID 103959768
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
CID 94174191
N'-hydroxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 76883719
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The IUPAC name of 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline (CID 115994911) is 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline.
What is the SMILES notation for 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The canonical SMILES for 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline is CCC(N)c1ccccc1N(C)CCc1ccncc1.
What is the InChIKey of 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
The InChIKey is RGBDTIPDBIBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-16(18)15-6-4-5-7-17(15)20(2)13-10-14-8-11-19-12-9-14/h4-9,11-12,16H,3,10,13,18H2,1-2H3.
What are the key properties of 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline?
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline is sourced from PubChem (CID 115994911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).