2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline

C16H21N3 — CID 43188910

IUPAC2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCC(N)c1ccccc1N(C)CCc1ccccn1
InChIInChI=1S/C16H21N3/c1-13(17)15-8-3-4-9-16(15)19(2)12-10-14-7-5-6-11-18-14/h3-9,11,13H,10,12,17H2,1-2H3
InChIKeyFTWPGDJNDFXZKJ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.78
Rot. Bonds5

About 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline

2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline (PubChem CID 43188910) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
PubChem CID43188910
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
SMILESCC(N)c1ccccc1N(C)CCc1ccccn1
InChIInChI=1S/C16H21N3/c1-13(17)15-8-3-4-9-16(15)19(2)12-10-14-7-5-6-11-18-14/h3-9,11,13H,10,12,17H2,1-2H3
InChIKeyFTWPGDJNDFXZKJ-UHFFFAOYSA-N
XLogP2.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
6-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)pyridin-3-amine
CID 83122719
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 63786109
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 78935252
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
2-[(1R)-1-aminopropyl]-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 103958546
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890
2-iodo-1-N-methyl-1-N-(2-pyridin-2-ylethyl)benzene-1,4-diamine
CID 66094959

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline (CID 43188910) is 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline.
What is the SMILES notation for 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The canonical SMILES for 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline is CC(N)c1ccccc1N(C)CCc1ccccn1.
What is the InChIKey of 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
The InChIKey is FTWPGDJNDFXZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13(17)15-8-3-4-9-16(15)19(2)12-10-14-7-5-6-11-18-14/h3-9,11,13H,10,12,17H2,1-2H3.
What are the key properties of 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline?
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline has a molecular weight of 255.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline is sourced from PubChem (CID 43188910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).