4-[N-(diethylamino)anilino]aniline

C16H21N3 — CID 174589778

IUPAC4-[N-(diethylamino)anilino]aniline
SMILESCCN(CC)N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H21N3/c1-3-18(4-2)19(15-8-6-5-7-9-15)16-12-10-14(17)11-13-16/h5-13H,3-4,17H2,1-2H3
InChIKeyGNTUPWXCYQLKGB-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.66
Rot. Bonds5

About 4-[N-(diethylamino)anilino]aniline

4-[N-(diethylamino)anilino]aniline (PubChem CID 174589778) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 4-[N-(diethylamino)anilino]aniline.

Molecular Properties

Compound Name4-[N-(diethylamino)anilino]aniline
PubChem CID174589778
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name4-[N-(diethylamino)anilino]aniline
SMILESCCN(CC)N(c1ccccc1)c1ccc(N)cc1
InChIInChI=1S/C16H21N3/c1-3-18(4-2)19(15-8-6-5-7-9-15)16-12-10-14(17)11-13-16/h5-13H,3-4,17H2,1-2H3
InChIKeyGNTUPWXCYQLKGB-UHFFFAOYSA-N
XLogP3.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[N-(diethylamino)anilino]aniline?
The IUPAC name of 4-[N-(diethylamino)anilino]aniline (CID 174589778) is 4-[N-(diethylamino)anilino]aniline.
What is the SMILES notation for 4-[N-(diethylamino)anilino]aniline?
The canonical SMILES for 4-[N-(diethylamino)anilino]aniline is CCN(CC)N(c1ccccc1)c1ccc(N)cc1.
What is the InChIKey of 4-[N-(diethylamino)anilino]aniline?
The InChIKey is GNTUPWXCYQLKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-18(4-2)19(15-8-6-5-7-9-15)16-12-10-14(17)11-13-16/h5-13H,3-4,17H2,1-2H3.
What are the key properties of 4-[N-(diethylamino)anilino]aniline?
4-[N-(diethylamino)anilino]aniline has a molecular weight of 255.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[N-(diethylamino)anilino]aniline is sourced from PubChem (CID 174589778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).