2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine

C16H20N2 — CID 169488588

IUPAC2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)ccc1N
InChIInChI=1S/C16H20N2/c1-3-18(4-2)16-12-14(10-11-15(16)17)13-8-6-5-7-9-13/h5-12H,3-4,17H2,1-2H3
InChIKeyRJGFLDJEESPNLM-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.78
Rot. Bonds4

About 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine

2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine (PubChem CID 169488588) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine
PubChem CID169488588
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine
SMILESCCN(CC)c1cc(-c2ccccc2)ccc1N
InChIInChI=1S/C16H20N2/c1-3-18(4-2)16-12-14(10-11-15(16)17)13-8-6-5-7-9-13/h5-12H,3-4,17H2,1-2H3
InChIKeyRJGFLDJEESPNLM-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine (CID 169488588) is 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine is CCN(CC)c1cc(-c2ccccc2)ccc1N.
What is the InChIKey of 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine?
The InChIKey is RJGFLDJEESPNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-18(4-2)16-12-14(10-11-15(16)17)13-8-6-5-7-9-13/h5-12H,3-4,17H2,1-2H3.
What are the key properties of 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine?
2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-phenylbenzene-1,2-diamine is sourced from PubChem (CID 169488588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).