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

C9H12Cl2N2 — CID 54079634

IUPAC2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(2)13-9-7(10)3-6(12)4-8(9)11/h3-5,13H,12H2,1-2H3
InChIKeyMMEFFKRZNXMJPQ-UHFFFAOYSA-N
MW219.12 g/mol
LogP3.40
Rot. Bonds2

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

2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 54079634) has the molecular formula C9H12Cl2N2 and a molecular weight of 219.12 g/mol. Its IUPAC name is 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID54079634
Molecular FormulaC9H12Cl2N2
Molecular Weight219.12 g/mol
Exact Mass218.04
IUPAC Name2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C9H12Cl2N2/c1-5(2)13-9-7(10)3-6(12)4-8(9)11/h3-5,13H,12H2,1-2H3
InChIKeyMMEFFKRZNXMJPQ-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 53.40
H-Bond Donors ≤ 52
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 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine (CID 54079634) is 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine is CC(C)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is MMEFFKRZNXMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2/c1-5(2)13-9-7(10)3-6(12)4-8(9)11/h3-5,13H,12H2,1-2H3.
What are the key properties of 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine?
2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 219.12 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 54079634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).