[3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine

C10H13F2NO — CID 87427363

IUPAC[3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine
SMILESCc1c(CN)cccc1OCC(F)F
InChIInChI=1S/C10H13F2NO/c1-7-8(5-13)3-2-4-9(7)14-6-10(11)12/h2-4,10H,5-6,13H2,1H3
InChIKeyPAONHEQXYJNVIZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.10
Rot. Bonds4

About [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine

[3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine (PubChem CID 87427363) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine
PubChem CID87427363
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name[3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine
SMILESCc1c(CN)cccc1OCC(F)F
InChIInChI=1S/C10H13F2NO/c1-7-8(5-13)3-2-4-9(7)14-6-10(11)12/h2-4,10H,5-6,13H2,1H3
InChIKeyPAONHEQXYJNVIZ-UHFFFAOYSA-N
XLogP2.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine?
The IUPAC name of [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine (CID 87427363) is [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine is Cc1c(CN)cccc1OCC(F)F.
What is the InChIKey of [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine?
The InChIKey is PAONHEQXYJNVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7-8(5-13)3-2-4-9(7)14-6-10(11)12/h2-4,10H,5-6,13H2,1H3.
What are the key properties of [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine?
[3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine has a molecular weight of 201.22 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-2-methylphenyl]methanamine is sourced from PubChem (CID 87427363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).