4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline

C16H21N3 — CID 63784582

IUPAC4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCN(CCc1ccccn1)c1ccc(CCN)cc1
InChIInChI=1S/C16H21N3/c1-19(13-10-15-4-2-3-12-18-15)16-7-5-14(6-8-16)9-11-17/h2-8,12H,9-11,13,17H2,1H3
InChIKeyCNHMRPNGNGYNLN-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.26
Rot. Bonds6

About 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline

4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 63784582) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID63784582
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCN(CCc1ccccn1)c1ccc(CCN)cc1
InChIInChI=1S/C16H21N3/c1-19(13-10-15-4-2-3-12-18-15)16-7-5-14(6-8-16)9-11-17/h2-8,12H,9-11,13,17H2,1H3
InChIKeyCNHMRPNGNGYNLN-UHFFFAOYSA-N
XLogP2.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.26
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,3-dimethyl-N-(2-pyridin-2-ylethyl)aniline
CID 63784236
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719
N'-hydroxy-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
2-amino-5-[methyl(2-pyridin-2-ylethyl)amino]benzamide
CID 61306751
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 104500194
2-(aminomethyl)-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 62492965
4-N-methyl-2-propoxy-4-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671602
4-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79493669
5-methoxy-3-N-methyl-3-N-(2-pyridin-2-ylethyl)benzene-1,3-diamine
CID 80725603
(1R)-1-[5-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridinyl]propan-1-ol
CID 103938326
2-N-methyl-2-N-(2-pyridin-2-ylethyl)quinoline-2,6-diamine
CID 43450816
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline (CID 63784582) is 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline is CN(CCc1ccccn1)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is CNHMRPNGNGYNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19(13-10-15-4-2-3-12-18-15)16-7-5-14(6-8-16)9-11-17/h2-8,12H,9-11,13,17H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
4-(2-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 255.37 g/mol, XLogP of 2.26, 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-methyl-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 63784582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).