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

C13H20FNO — CID 107114173

IUPAC[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
SMILESCC(C)C(C)OCc1cccc(CN)c1F
InChIInChI=1S/C13H20FNO/c1-9(2)10(3)16-8-12-6-4-5-11(7-15)13(12)14/h4-6,9-10H,7-8,15H2,1-3H3
InChIKeyXCZKZFCSBLCRNA-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.85
Rot. Bonds5

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

[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine (PubChem CID 107114173) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
PubChem CID107114173
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
SMILESCC(C)C(C)OCc1cccc(CN)c1F
InChIInChI=1S/C13H20FNO/c1-9(2)10(3)16-8-12-6-4-5-11(7-15)13(12)14/h4-6,9-10H,7-8,15H2,1-3H3
InChIKeyXCZKZFCSBLCRNA-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-(propan-2-yloxymethyl)aniline
CID 107347884
[2-(propan-2-yloxymethyl)phenyl]methanamine
CID 18070374
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylbutan-2-amine
CID 107113121
[3-methyl-4-(3-methylbutan-2-yloxymethyl)phenyl]methanamine
CID 114479420
2-[2-(3-methylbutan-2-yloxymethyl)phenyl]acetic acid
CID 115460803
(2-fluoro-3-propylphenyl)methanamine
CID 139576799
[3-[(3-ethoxyphenoxy)methyl]-2-fluorophenyl]methanamine
CID 107114137
1-[2-fluoro-3-(methoxymethyl)phenyl]propan-2-amine
CID 117287115
(2-fluoro-3-iodophenyl)methanamine
CID 71042623
[3-[(3,5-dimethylcyclohexyl)oxymethyl]-2-fluorophenyl]methanamine
CID 107114159
[3-[(2S)-butan-2-yl]oxy-2-fluorophenyl]methanamine
CID 125426921
2-[2-fluoro-3-(methoxymethyl)phenyl]ethanamine
CID 117279565

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine (CID 107114173) is [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine is CC(C)C(C)OCc1cccc(CN)c1F.
What is the InChIKey of [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine?
The InChIKey is XCZKZFCSBLCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-9(2)10(3)16-8-12-6-4-5-11(7-15)13(12)14/h4-6,9-10H,7-8,15H2,1-3H3.
What are the key properties of [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine?
[2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine has a molecular weight of 225.31 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(3-methylbutan-2-yloxymethyl)phenyl]methanamine is sourced from PubChem (CID 107114173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).