2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine

C11H16Cl2N2 — CID 54350999

IUPAC2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1c(Cl)cc(N(C)C)cc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-7(2)14-11-9(12)5-8(15(3)4)6-10(11)13/h5-7,14H,1-4H3
InChIKeyUFTINEBFCPQTQP-UHFFFAOYSA-N
MW247.17 g/mol
LogP3.88
Rot. Bonds3

About 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine

2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 54350999) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID54350999
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1c(Cl)cc(N(C)C)cc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-7(2)14-11-9(12)5-8(15(3)4)6-10(11)13/h5-7,14H,1-4H3
InChIKeyUFTINEBFCPQTQP-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine (CID 54350999) is 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine is CC(C)Nc1c(Cl)cc(N(C)C)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is UFTINEBFCPQTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-7(2)14-11-9(12)5-8(15(3)4)6-10(11)13/h5-7,14H,1-4H3.
What are the key properties of 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine?
2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 247.17 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-N,4-N-dimethyl-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 54350999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).