3-(2-aminoethyl)-N,N-diethylaniline

C12H20N2 — CID 82402430

IUPAC3-(2-aminoethyl)-N,N-diethylaniline
SMILESCCN(CC)c1cccc(CCN)c1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)12-7-5-6-11(10-12)8-9-13/h5-7,10H,3-4,8-9,13H2,1-2H3
InChIKeyWAVQKQMRLIHCFW-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.03
Rot. Bonds5

About 3-(2-aminoethyl)-N,N-diethylaniline

3-(2-aminoethyl)-N,N-diethylaniline (PubChem CID 82402430) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N,N-diethylaniline.

Molecular Properties

Compound Name3-(2-aminoethyl)-N,N-diethylaniline
PubChem CID82402430
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-(2-aminoethyl)-N,N-diethylaniline
SMILESCCN(CC)c1cccc(CCN)c1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)12-7-5-6-11(10-12)8-9-13/h5-7,10H,3-4,8-9,13H2,1-2H3
InChIKeyWAVQKQMRLIHCFW-UHFFFAOYSA-N
XLogP2.03
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-aminobutyl)-N,N-diethylaniline
CID 117314931
N,N-diethyl-3-[2-(methylamino)ethyl]aniline
CID 96768537
3-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)aniline
CID 102813670
4-(2-aminoethyl)-N-benzyl-N-ethylaniline
CID 63783223
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254
2-amino-3-[3-(diethylamino)phenyl]propanoic acid
CID 22603383
N,N-diethyl-3-(phenoxymethyl)aniline
CID 54126573
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
2-[3-(aminomethyl)phenyl]ethanamine
CID 67482147
4-(2-aminoethyl)-N-ethyl-N-(3-fluorophenyl)-2-methylaniline
CID 63786177
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
N,N-diethylethanamine;2-phenylethanamine
CID 67440073

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N,N-diethylaniline?
The IUPAC name of 3-(2-aminoethyl)-N,N-diethylaniline (CID 82402430) is 3-(2-aminoethyl)-N,N-diethylaniline.
What is the SMILES notation for 3-(2-aminoethyl)-N,N-diethylaniline?
The canonical SMILES for 3-(2-aminoethyl)-N,N-diethylaniline is CCN(CC)c1cccc(CCN)c1.
What is the InChIKey of 3-(2-aminoethyl)-N,N-diethylaniline?
The InChIKey is WAVQKQMRLIHCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-14(4-2)12-7-5-6-11(10-12)8-9-13/h5-7,10H,3-4,8-9,13H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-N,N-diethylaniline?
3-(2-aminoethyl)-N,N-diethylaniline has a molecular weight of 192.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N,N-diethylaniline is sourced from PubChem (CID 82402430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).