[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine

C11H16FNO — CID 84667770

IUPAC[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
SMILESCC(C)(F)COc1ccc(CN)cc1
InChIInChI=1S/C11H16FNO/c1-11(2,12)8-14-10-5-3-9(7-13)4-6-10/h3-6H,7-8,13H2,1-2H3
InChIKeyJGECNDFPJWGBJJ-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.27
Rot. Bonds4

About [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine

[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine (PubChem CID 84667770) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
PubChem CID84667770
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
SMILESCC(C)(F)COc1ccc(CN)cc1
InChIInChI=1S/C11H16FNO/c1-11(2,12)8-14-10-5-3-9(7-13)4-6-10/h3-6H,7-8,13H2,1-2H3
InChIKeyJGECNDFPJWGBJJ-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(trifluoromethylperoxy)phenyl]methanamine
CID 150309144
3-[4-(2,2-difluoropropoxy)phenyl]propan-1-amine
CID 84792717
3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437
[4-[2-[2-[2-[4-(aminomethyl)phenoxy]ethoxy]ethoxy]ethoxy]phenyl]methanamine
CID 46222769
[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanamine;hydrochloride
CID 166667087
4-(1,1,2,2,2-pentafluoroethoxy)aniline;[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanamine
CID 161101779
[4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanamine;hydrochloride
CID 156808519
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine?
The IUPAC name of [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine (CID 84667770) is [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine.
What is the SMILES notation for [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine?
The canonical SMILES for [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine is CC(C)(F)COc1ccc(CN)cc1.
What is the InChIKey of [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine?
The InChIKey is JGECNDFPJWGBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,12)8-14-10-5-3-9(7-13)4-6-10/h3-6H,7-8,13H2,1-2H3.
What are the key properties of [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine?
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine has a molecular weight of 197.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoro-2-methylpropoxy)phenyl]methanamine is sourced from PubChem (CID 84667770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).