1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine

C11H15F2NO — CID 117306605

IUPAC1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(C(F)F)c(CC(C)N)c1
InChIInChI=1S/C11H15F2NO/c1-7(14)5-8-6-9(15-2)3-4-10(8)11(12)13/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyDNQHCISVEYIEGF-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine

1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine (PubChem CID 117306605) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
PubChem CID117306605
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
SMILESCOc1ccc(C(F)F)c(CC(C)N)c1
InChIInChI=1S/C11H15F2NO/c1-7(14)5-8-6-9(15-2)3-4-10(8)11(12)13/h3-4,6-7,11H,5,14H2,1-2H3
InChIKeyDNQHCISVEYIEGF-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine
CID 117330484
4-(2-fluoro-4-methoxyphenyl)pentan-2-amine
CID 83909628
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-one
CID 84680204
3-[2-(difluoromethyl)-5-methoxyphenyl]propanal
CID 117305190
1-(5-methoxy-2-pentan-2-yloxyphenyl)propan-2-amine
CID 107885471
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117328612
[2-(1-aminoethyl)-5-methoxyphenyl]methanol
CID 130042307
1-[2-(ethoxymethoxy)-5-methoxyphenyl]propan-2-amine
CID 65369886
1-(5-methoxy-2-piperidin-1-ylphenyl)propan-2-amine
CID 117374676
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
methyl 2-[2-(2-aminopropyl)-4-methoxyphenoxy]acetate
CID 54930741
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine?
The IUPAC name of 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine (CID 117306605) is 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine is COc1ccc(C(F)F)c(CC(C)N)c1.
What is the InChIKey of 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine?
The InChIKey is DNQHCISVEYIEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(14)5-8-6-9(15-2)3-4-10(8)11(12)13/h3-4,6-7,11H,5,14H2,1-2H3.
What are the key properties of 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine?
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine is sourced from PubChem (CID 117306605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).