4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline

C17H23N3 — CID 63784236

IUPAC4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCc1cc(N(C)CCc2ccccn2)ccc1CCN
InChIInChI=1S/C17H23N3/c1-14-13-17(7-6-15(14)8-10-18)20(2)12-9-16-5-3-4-11-19-16/h3-7,11,13H,8-10,12,18H2,1-2H3
InChIKeyDGFIPUXYPSJFOG-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.57
Rot. Bonds6

About 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline

4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 63784236) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID63784236
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCc1cc(N(C)CCc2ccccn2)ccc1CCN
InChIInChI=1S/C17H23N3/c1-14-13-17(7-6-15(14)8-10-18)20(2)12-9-16-5-3-4-11-19-16/h3-7,11,13H,8-10,12,18H2,1-2H3
InChIKeyDGFIPUXYPSJFOG-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784582
N'-[4-(2-aminoethyl)-3-methylphenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63783958
4-(2-aminoethyl)-N,3-dimethyl-N-(2-methylsulfanylethyl)aniline
CID 112666709
4-(2-aminoethyl)-N-benzyl-N,3-dimethylaniline
CID 55237346
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671602
4-(2-aminoethyl)-N-(3-methoxypropyl)-N,3-dimethylaniline
CID 63783455
4-(aminomethyl)-N,3-dimethyl-N-(3-phenylpropyl)aniline
CID 81273880
4-(2-aminoethyl)-N,3-dimethyl-N-(3-methylsulfanylpropyl)aniline
CID 114238540
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline (CID 63784236) is 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline is Cc1cc(N(C)CCc2ccccn2)ccc1CCN.
What is the InChIKey of 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is DGFIPUXYPSJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14-13-17(7-6-15(14)8-10-18)20(2)12-9-16-5-3-4-11-19-16/h3-7,11,13H,8-10,12,18H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline?
4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 269.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 63784236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).