[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine

C13H20FNO — CID 28996271

IUPAC[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
SMILESCCC(C)(C)OCc1cc(CN)ccc1F
InChIInChI=1S/C13H20FNO/c1-4-13(2,3)16-9-11-7-10(8-15)5-6-12(11)14/h5-7H,4,8-9,15H2,1-3H3
InChIKeyUVTYUWXGNMHKQD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.99
Rot. Bonds5

About [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine

[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine (PubChem CID 28996271) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
PubChem CID28996271
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine
SMILESCCC(C)(C)OCc1cc(CN)ccc1F
InChIInChI=1S/C13H20FNO/c1-4-13(2,3)16-9-11-7-10(8-15)5-6-12(11)14/h5-7H,4,8-9,15H2,1-3H3
InChIKeyUVTYUWXGNMHKQD-UHFFFAOYSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine (CID 28996271) is [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine is CCC(C)(C)OCc1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is UVTYUWXGNMHKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-13(2,3)16-9-11-7-10(8-15)5-6-12(11)14/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine?
[4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 225.31 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2-methylbutan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 28996271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).