3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline

C23H34N2 — CID 70890902

IUPAC3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline
SMILESCCC(c1cccc(N(CC)CC)c1)c1cccc(N(CC)CC)c1
InChIInChI=1S/C23H34N2/c1-6-23(19-13-11-15-21(17-19)24(7-2)8-3)20-14-12-16-22(18-20)25(9-4)10-5/h11-18,23H,6-10H2,1-5H3
InChIKeyFIKQALHOGQGGFX-UHFFFAOYSA-N
MW338.54 g/mol
LogP5.92
Rot. Bonds9

About 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline

3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline (PubChem CID 70890902) has the molecular formula C23H34N2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline.

Molecular Properties

Compound Name3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline
PubChem CID70890902
Molecular FormulaC23H34N2
Molecular Weight338.54 g/mol
Exact Mass338.27
IUPAC Name3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline
SMILESCCC(c1cccc(N(CC)CC)c1)c1cccc(N(CC)CC)c1
InChIInChI=1S/C23H34N2/c1-6-23(19-13-11-15-21(17-19)24(7-2)8-3)20-14-12-16-22(18-20)25(9-4)10-5/h11-18,23H,6-10H2,1-5H3
InChIKeyFIKQALHOGQGGFX-UHFFFAOYSA-N
XLogP5.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(diethylamino)phenyl]-triphenylphosphanium
CID 159197877
3-(1-aminopropan-2-yl)-N,N-diethylaniline
CID 117295299
2-amino-1-[3-(diethylamino)phenyl]ethanol
CID 117297990
N,N-diethylaniline
CID 7061
1-[3-(diethylamino)phenyl]-2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)ethanol
CID 162347694
1-tert-butyl-3-[1-(3-tert-butylphenyl)propyl]benzene
CID 101326642
N,N-diethylaniline;hydrazine
CID 161037544
3-[[5-(diethylamino)-2-methylphenyl]-phenylmethyl]-N,N-diethyl-4-methylaniline
CID 66629431
1-[3-(diethylamino)phenyl]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 156763304
N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092
2-[3-(diethylamino)phenyl]-2-(4-methanehydrazonoylanilino)acetic acid
CID 174397204
CID 161146216
CID 161146216

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline?
The IUPAC name of 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline (CID 70890902) is 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline.
What is the SMILES notation for 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline?
The canonical SMILES for 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline is CCC(c1cccc(N(CC)CC)c1)c1cccc(N(CC)CC)c1.
What is the InChIKey of 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline?
The InChIKey is FIKQALHOGQGGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2/c1-6-23(19-13-11-15-21(17-19)24(7-2)8-3)20-14-12-16-22(18-20)25(9-4)10-5/h11-18,23H,6-10H2,1-5H3.
What are the key properties of 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline?
3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline has a molecular weight of 338.54 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(diethylamino)phenyl]propyl]-N,N-diethylaniline is sourced from PubChem (CID 70890902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).