2-[2-(diethylamino)phenyl]-N,N-diethylaniline

C20H28N2 — CID 158417392

IUPAC2-[2-(diethylamino)phenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1-c1ccccc1N(CC)CC
InChIInChI=1S/C20H28N2/c1-5-21(6-2)19-15-11-9-13-17(19)18-14-10-12-16-20(18)22(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKeyHABKARBNMXZFLC-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.05
Rot. Bonds7

About 2-[2-(diethylamino)phenyl]-N,N-diethylaniline

2-[2-(diethylamino)phenyl]-N,N-diethylaniline (PubChem CID 158417392) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[2-(diethylamino)phenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name2-[2-(diethylamino)phenyl]-N,N-diethylaniline
PubChem CID158417392
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name2-[2-(diethylamino)phenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1-c1ccccc1N(CC)CC
InChIInChI=1S/C20H28N2/c1-5-21(6-2)19-15-11-9-13-17(19)18-14-10-12-16-20(18)22(7-3)8-4/h9-16H,5-8H2,1-4H3
InChIKeyHABKARBNMXZFLC-UHFFFAOYSA-N
XLogP5.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[2-[2-(diethylamino)phenyl]phenyl]methanone;hydrochloride
CID 141000987
[2-[2-(diethylamino)phenyl]phenyl]-phenylmethanone
CID 150978670
2-[4-(dimethylamino)phenyl]-N,N-diethylaniline
CID 173255572
2-(4-ethoxyphenyl)-N,N-diethylaniline
CID 70567665
N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
CID 159657199
1-N,1-N,8-N,8-N-tetraethylnaphthalene-1,8-diamine
CID 12673049
(E)-3-[2-(diethylamino)phenyl]prop-2-enal
CID 87134709
2-(diethylamino)benzenediazonium
CID 21446526
2-(diethylamino)phenol;phenol
CID 174799209
N,N-diethyl-2-triphenylstannylaniline
CID 159469705
1-(diethylamino)-9H-fluoren-9-ol
CID 174822735
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)phenyl]-N,N-diethylaniline?
The IUPAC name of 2-[2-(diethylamino)phenyl]-N,N-diethylaniline (CID 158417392) is 2-[2-(diethylamino)phenyl]-N,N-diethylaniline.
What is the SMILES notation for 2-[2-(diethylamino)phenyl]-N,N-diethylaniline?
The canonical SMILES for 2-[2-(diethylamino)phenyl]-N,N-diethylaniline is CCN(CC)c1ccccc1-c1ccccc1N(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)phenyl]-N,N-diethylaniline?
The InChIKey is HABKARBNMXZFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-5-21(6-2)19-15-11-9-13-17(19)18-14-10-12-16-20(18)22(7-3)8-4/h9-16H,5-8H2,1-4H3.
What are the key properties of 2-[2-(diethylamino)phenyl]-N,N-diethylaniline?
2-[2-(diethylamino)phenyl]-N,N-diethylaniline has a molecular weight of 296.46 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)phenyl]-N,N-diethylaniline is sourced from PubChem (CID 158417392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).