4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline

C21H32N4 — CID 53403073

IUPAC4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(NN)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H32N4/c1-5-24(6-2)19-13-9-17(10-14-19)21(23-22)18-11-15-20(16-12-18)25(7-3)8-4/h9-16,21,23H,5-8,22H2,1-4H3
InChIKeyXLBGKTWYPGVWHW-UHFFFAOYSA-N
MW340.52 g/mol
LogP3.93
Rot. Bonds9

About 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline

4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline (PubChem CID 53403073) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
PubChem CID53403073
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Name4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C(NN)c2ccc(N(CC)CC)cc2)cc1
InChIInChI=1S/C21H32N4/c1-5-24(6-2)19-13-9-17(10-14-19)21(23-22)18-11-15-20(16-12-18)25(7-3)8-4/h9-16,21,23H,5-8,22H2,1-4H3
InChIKeyXLBGKTWYPGVWHW-UHFFFAOYSA-N
XLogP3.93
TPSA44.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
4-(difluoromethyl)-N,N-diethylaniline
CID 154791327
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
4-[(1R)-1-amino-2-fluoroethyl]-N,N-diethylaniline
CID 171227521
4-[(4-chloroanilino)-[4-(diethylamino)phenyl]methyl]-N,N-diethylaniline
CID 20537704
N,N-diethyl-4-[1-(methylamino)propyl]aniline
CID 70917104
4-[amino(phenyl)methyl]-N,N-diethylaniline
CID 154345063
4-[1-[4-(diethylamino)phenyl]-2,2-dimethylpropyl]-N,N-diethylaniline
CID 91741933
(1R)-1-[4-(diethylamino)phenyl]propane-1,3-diamine;hydrochloride
CID 171207945
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-N,N-diethylaniline
CID 66511663
4-[(1S)-1-amino-3-methylbutyl]-N,N-diethylaniline;hydrochloride
CID 171227543
N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline?
The IUPAC name of 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline (CID 53403073) is 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline?
The canonical SMILES for 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline is CCN(CC)c1ccc(C(NN)c2ccc(N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline?
The InChIKey is XLBGKTWYPGVWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4/c1-5-24(6-2)19-13-9-17(10-14-19)21(23-22)18-11-15-20(16-12-18)25(7-3)8-4/h9-16,21,23H,5-8,22H2,1-4H3.
What are the key properties of 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline?
4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline has a molecular weight of 340.52 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(diethylamino)phenyl]-hydrazinylmethyl]-N,N-diethylaniline is sourced from PubChem (CID 53403073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).