2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine

C11H16FNO — CID 117287295

IUPAC2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cccc(C(C)(C)N)c1F
InChIInChI=1S/C11H16FNO/c1-11(2,13)9-6-4-5-8(7-14-3)10(9)12/h4-6H,7,13H2,1-3H3
InChIKeyIOGNSCUATNVGBB-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.17
Rot. Bonds3

About 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine

2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine (PubChem CID 117287295) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
PubChem CID117287295
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
SMILESCOCc1cccc(C(C)(C)N)c1F
InChIInChI=1S/C11H16FNO/c1-11(2,13)9-6-4-5-8(7-14-3)10(9)12/h4-6H,7,13H2,1-3H3
InChIKeyIOGNSCUATNVGBB-UHFFFAOYSA-N
XLogP2.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine?
The IUPAC name of 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine (CID 117287295) is 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine.
What is the SMILES notation for 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine?
The canonical SMILES for 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine is COCc1cccc(C(C)(C)N)c1F.
What is the InChIKey of 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine?
The InChIKey is IOGNSCUATNVGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,13)9-6-4-5-8(7-14-3)10(9)12/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine?
2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine is sourced from PubChem (CID 117287295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).