2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine

C11H16FNO — CID 117287323

IUPAC2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
SMILESCOc1c(C)cc(C(C)(C)N)cc1F
InChIInChI=1S/C11H16FNO/c1-7-5-8(11(2,3)13)6-9(12)10(7)14-4/h5-6H,13H2,1-4H3
InChIKeyGWRRWYFIHOJHDG-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.34
Rot. Bonds2

About 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine

2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine (PubChem CID 117287323) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
PubChem CID117287323
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine
SMILESCOc1c(C)cc(C(C)(C)N)cc1F
InChIInChI=1S/C11H16FNO/c1-7-5-8(11(2,3)13)6-9(12)10(7)14-4/h5-6H,13H2,1-4H3
InChIKeyGWRRWYFIHOJHDG-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine?
The IUPAC name of 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine (CID 117287323) is 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine.
What is the SMILES notation for 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine?
The canonical SMILES for 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine is COc1c(C)cc(C(C)(C)N)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine?
The InChIKey is GWRRWYFIHOJHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-7-5-8(11(2,3)13)6-9(12)10(7)14-4/h5-6H,13H2,1-4H3.
What are the key properties of 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine?
2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine has a molecular weight of 197.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxy-5-methylphenyl)propan-2-amine is sourced from PubChem (CID 117287323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).