2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline

C17H23N3 — CID 63262604

IUPAC2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline
SMILESCCCN(CCc1cccnc1)Cc1ccccc1N
InChIInChI=1S/C17H23N3/c1-2-11-20(12-9-15-6-5-10-19-13-15)14-16-7-3-4-8-17(16)18/h3-8,10,13H,2,9,11-12,14,18H2,1H3
InChIKeyBEXVVJDXQPRFNA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.12
Rot. Bonds7

About 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline

2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline (PubChem CID 63262604) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline
PubChem CID63262604
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline
SMILESCCCN(CCc1cccnc1)Cc1ccccc1N
InChIInChI=1S/C17H23N3/c1-2-11-20(12-9-15-6-5-10-19-13-15)14-16-7-3-4-8-17(16)18/h3-8,10,13H,2,9,11-12,14,18H2,1H3
InChIKeyBEXVVJDXQPRFNA-UHFFFAOYSA-N
XLogP3.12
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-propyl-N'-(2-pyridin-3-ylethyl)ethane-1,2-diamine
CID 63265157
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
2-(2-pyridin-3-ylethyl)aniline;dihydrochloride
CID 45075131
2-[propyl(2-pyridin-3-ylethyl)amino]acetonitrile
CID 63264561
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[(1-methylpyrazol-4-yl)methyl-propylamino]methyl]aniline
CID 62125850
N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
N-[(2-methoxyphenyl)methyl]-2-phenyl-N-(pyridin-3-ylmethyl)ethanamine
CID 46993097
2-methyl-N-propyl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 59134912
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
CID 65460357

Frequently Asked Questions

What is the IUPAC name of 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline?
The IUPAC name of 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline (CID 63262604) is 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline?
The canonical SMILES for 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline is CCCN(CCc1cccnc1)Cc1ccccc1N.
What is the InChIKey of 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline?
The InChIKey is BEXVVJDXQPRFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-11-20(12-9-15-6-5-10-19-13-15)14-16-7-3-4-8-17(16)18/h3-8,10,13H,2,9,11-12,14,18H2,1H3.
What are the key properties of 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline?
2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline has a molecular weight of 269.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[propyl(2-pyridin-3-ylethyl)amino]methyl]aniline is sourced from PubChem (CID 63262604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).