1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine

C11H15F2NO — CID 84681000

IUPAC1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
SMILESCOc1c(C(C)N)cc(C)cc1C(F)F
InChIInChI=1S/C11H15F2NO/c1-6-4-8(7(2)14)10(15-3)9(5-6)11(12)13/h4-5,7,11H,14H2,1-3H3
InChIKeyRWRMGSABKGZQOW-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.96
Rot. Bonds3

About 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine

1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine (PubChem CID 84681000) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
PubChem CID84681000
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine
SMILESCOc1c(C(C)N)cc(C)cc1C(F)F
InChIInChI=1S/C11H15F2NO/c1-6-4-8(7(2)14)10(15-3)9(5-6)11(12)13/h4-5,7,11H,14H2,1-3H3
InChIKeyRWRMGSABKGZQOW-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine?
The IUPAC name of 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine (CID 84681000) is 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine?
The canonical SMILES for 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine is COc1c(C(C)N)cc(C)cc1C(F)F.
What is the InChIKey of 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine?
The InChIKey is RWRMGSABKGZQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-6-4-8(7(2)14)10(15-3)9(5-6)11(12)13/h4-5,7,11H,14H2,1-3H3.
What are the key properties of 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine?
1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]ethanamine is sourced from PubChem (CID 84681000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).