1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine

C13H20FNO — CID 103026178

IUPAC1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1ccc(F)cc1C
InChIInChI=1S/C13H20FNO/c1-9-7-10(14)5-6-11(9)12(15)8-13(2,3)16-4/h5-7,12H,8,15H2,1-4H3
InChIKeyDVBHIOYOWKGVQH-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine

1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103026178) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103026178
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CC(N)c1ccc(F)cc1C
InChIInChI=1S/C13H20FNO/c1-9-7-10(14)5-6-11(9)12(15)8-13(2,3)16-4/h5-7,12H,8,15H2,1-4H3
InChIKeyDVBHIOYOWKGVQH-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine (CID 103026178) is 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CC(N)c1ccc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is DVBHIOYOWKGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9-7-10(14)5-6-11(9)12(15)8-13(2,3)16-4/h5-7,12H,8,15H2,1-4H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine?
1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 225.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103026178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).