1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine

C16H20N2 — CID 102138083

IUPAC1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine
SMILESCN(C)c1cc(-c2ccccc2)cc(N(C)C)c1
InChIInChI=1S/C16H20N2/c1-17(2)15-10-14(11-16(12-15)18(3)4)13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKeyVQXBFJIBEGEJPB-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.49
Rot. Bonds3

About 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine

1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine (PubChem CID 102138083) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine
PubChem CID102138083
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine
SMILESCN(C)c1cc(-c2ccccc2)cc(N(C)C)c1
InChIInChI=1S/C16H20N2/c1-17(2)15-10-14(11-16(12-15)18(3)4)13-8-6-5-7-9-13/h5-12H,1-4H3
InChIKeyVQXBFJIBEGEJPB-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine (CID 102138083) is 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine is CN(C)c1cc(-c2ccccc2)cc(N(C)C)c1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine?
The InChIKey is VQXBFJIBEGEJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-17(2)15-10-14(11-16(12-15)18(3)4)13-8-6-5-7-9-13/h5-12H,1-4H3.
What are the key properties of 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine is sourced from PubChem (CID 102138083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).