4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine

C18H24N2 — CID 39367289

IUPAC4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-3-20(4-2)18-12-10-17(11-13-18)19-15-14-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyUUUHZJFNGVSNGA-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.19
Rot. Bonds7

About 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine

4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine (PubChem CID 39367289) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
PubChem CID39367289
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
SMILESCCN(CC)c1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C18H24N2/c1-3-20(4-2)18-12-10-17(11-13-18)19-15-14-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3
InChIKeyUUUHZJFNGVSNGA-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide
CID 109000006
1-N-ethyl-4-N-(2-phenylethyl)benzene-1,4-diamine
CID 83962401
ethane;N-(2-phenylethyl)aniline
CID 91194556
4-N,4-N-diethyl-1-N-(2-phenylsulfanylethyl)benzene-1,4-diamine
CID 79227267
2-[4-(diethylamino)anilino]ethanethiol
CID 83962996
4-pentyl-N-(2-phenylethyl)aniline
CID 29284918
4-N,4-N-diethyl-1-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]benzene-1,4-diamine
CID 110653777
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094
N,N-diethyl-4-[(2-phenylethylamino)methyl]aniline;oxalic acid
CID 163327241
4-N,4-N-diethyl-1-N-(2-ethylsulfonylethyl)benzene-1,4-diamine
CID 55158057
3-[4-(diethylamino)anilino]propanenitrile
CID 39261332
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine (CID 39367289) is 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine is CCN(CC)c1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine?
The InChIKey is UUUHZJFNGVSNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-20(4-2)18-12-10-17(11-13-18)19-15-14-16-8-6-5-7-9-16/h5-13,19H,3-4,14-15H2,1-2H3.
What are the key properties of 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine?
4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine is sourced from PubChem (CID 39367289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).