3,6-dichloro-2-methoxybenzoic acid;propan-2-amine

C11H15Cl2NO3 — CID 24835137

IUPAC3,6-dichloro-2-methoxybenzoic acid;propan-2-amine
SMILESCC(C)N.COc1c(Cl)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H6Cl2O3.C3H9N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3(2)4/h2-3H,1H3,(H,11,12);3H,4H2,1-2H3
InChIKeyDLUOWQZURZVAEN-UHFFFAOYSA-N
MW280.15 g/mol
LogP3.05
Rot. Bonds2

About 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine

3,6-dichloro-2-methoxybenzoic acid;propan-2-amine (PubChem CID 24835137) has the molecular formula C11H15Cl2NO3 and a molecular weight of 280.15 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine.

Molecular Properties

Compound Name3,6-dichloro-2-methoxybenzoic acid;propan-2-amine
PubChem CID24835137
Molecular FormulaC11H15Cl2NO3
Molecular Weight280.15 g/mol
Exact Mass279.04
IUPAC Name3,6-dichloro-2-methoxybenzoic acid;propan-2-amine
SMILESCC(C)N.COc1c(Cl)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H6Cl2O3.C3H9N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3(2)4/h2-3H,1H3,(H,11,12);3H,4H2,1-2H3
InChIKeyDLUOWQZURZVAEN-UHFFFAOYSA-N
XLogP3.05
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine?
The IUPAC name of 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine (CID 24835137) is 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine.
What is the SMILES notation for 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine?
The canonical SMILES for 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine is CC(C)N.COc1c(Cl)ccc(Cl)c1C(=O)O.
What is the InChIKey of 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine?
The InChIKey is DLUOWQZURZVAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C3H9N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3(2)4/h2-3H,1H3,(H,11,12);3H,4H2,1-2H3.
What are the key properties of 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine?
3,6-dichloro-2-methoxybenzoic acid;propan-2-amine has a molecular weight of 280.15 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxybenzoic acid;propan-2-amine is sourced from PubChem (CID 24835137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).