3-chloro-4-deuterio-2,6-dimethylaniline

C8H10ClN — CID 156612488

IUPAC3-chloro-4-deuterio-2,6-dimethylaniline
SMILES[2H]c1cc(C)c(N)c(C)c1Cl
InChIInChI=1S/C8H10ClN/c1-5-3-4-7(9)6(2)8(5)10/h3-4H,10H2,1-2H3/i4D
InChIKeyFGMXFOTYCHZCLA-QYKNYGDISA-N
MW156.63 g/mol
LogP2.54
Rot. Bonds

About 3-chloro-4-deuterio-2,6-dimethylaniline

3-chloro-4-deuterio-2,6-dimethylaniline (PubChem CID 156612488) has the molecular formula C8H10ClN and a molecular weight of 156.63 g/mol. Its IUPAC name is 3-chloro-4-deuterio-2,6-dimethylaniline.

Molecular Properties

Compound Name3-chloro-4-deuterio-2,6-dimethylaniline
PubChem CID156612488
Molecular FormulaC8H10ClN
Molecular Weight156.63 g/mol
Exact Mass156.06
IUPAC Name3-chloro-4-deuterio-2,6-dimethylaniline
SMILES[2H]c1cc(C)c(N)c(C)c1Cl
InChIInChI=1S/C8H10ClN/c1-5-3-4-7(9)6(2)8(5)10/h3-4H,10H2,1-2H3/i4D
InChIKeyFGMXFOTYCHZCLA-QYKNYGDISA-N
XLogP2.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.63
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-deuterio-2,6-dimethylaniline?
The IUPAC name of 3-chloro-4-deuterio-2,6-dimethylaniline (CID 156612488) is 3-chloro-4-deuterio-2,6-dimethylaniline.
What is the SMILES notation for 3-chloro-4-deuterio-2,6-dimethylaniline?
The canonical SMILES for 3-chloro-4-deuterio-2,6-dimethylaniline is [2H]c1cc(C)c(N)c(C)c1Cl.
What is the InChIKey of 3-chloro-4-deuterio-2,6-dimethylaniline?
The InChIKey is FGMXFOTYCHZCLA-QYKNYGDISA-N. The full InChI is InChI=1S/C8H10ClN/c1-5-3-4-7(9)6(2)8(5)10/h3-4H,10H2,1-2H3/i4D.
What are the key properties of 3-chloro-4-deuterio-2,6-dimethylaniline?
3-chloro-4-deuterio-2,6-dimethylaniline has a molecular weight of 156.63 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-deuterio-2,6-dimethylaniline is sourced from PubChem (CID 156612488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).