1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine

C16H20N2 — CID 144989891

IUPAC1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine
SMILESCNc1c(C)cc(C)c(Nc2ccccc2)c1C
InChIInChI=1S/C16H20N2/c1-11-10-12(2)16(13(3)15(11)17-4)18-14-8-6-5-7-9-14/h5-10,17-18H,1-4H3
InChIKeyLMNWMYYCHGBBMF-UHFFFAOYSA-N
MW240.35 g/mol
LogP4.40
Rot. Bonds3

About 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine

1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine (PubChem CID 144989891) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine
PubChem CID144989891
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine
SMILESCNc1c(C)cc(C)c(Nc2ccccc2)c1C
InChIInChI=1S/C16H20N2/c1-11-10-12(2)16(13(3)15(11)17-4)18-14-8-6-5-7-9-14/h5-10,17-18H,1-4H3
InChIKeyLMNWMYYCHGBBMF-UHFFFAOYSA-N
XLogP4.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine?
The IUPAC name of 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine (CID 144989891) is 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine.
What is the SMILES notation for 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine?
The canonical SMILES for 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine is CNc1c(C)cc(C)c(Nc2ccccc2)c1C.
What is the InChIKey of 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine?
The InChIKey is LMNWMYYCHGBBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-10-12(2)16(13(3)15(11)17-4)18-14-8-6-5-7-9-14/h5-10,17-18H,1-4H3.
What are the key properties of 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine?
1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine has a molecular weight of 240.35 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2,4,6-tetramethyl-3-N-phenylbenzene-1,3-diamine is sourced from PubChem (CID 144989891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).