[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine

C11H16FNO — CID 102814557

IUPAC[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
SMILESCC(C)(C)Oc1cc(F)cc(CN)c1
InChIInChI=1S/C11H16FNO/c1-11(2,3)14-10-5-8(7-13)4-9(12)6-10/h4-6H,7,13H2,1-3H3
InChIKeyOYUMOTBPLAXCJE-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.46
Rot. Bonds2

About [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine

[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine (PubChem CID 102814557) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
PubChem CID102814557
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
SMILESCC(C)(C)Oc1cc(F)cc(CN)c1
InChIInChI=1S/C11H16FNO/c1-11(2,3)14-10-5-8(7-13)4-9(12)6-10/h4-6H,7,13H2,1-3H3
InChIKeyOYUMOTBPLAXCJE-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,2-difluoropropoxy)-5-fluorophenyl]methanamine
CID 164885137
[3-(aminomethyl)-5-fluorophenoxy]boronic acid
CID 151788480
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306
[3-bromo-5-(3-bromo-5-fluorophenoxy)phenyl]methanamine
CID 102814717
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
CID 102814455
tert-butyl 3-(aminomethyl)-5-fluorobenzoate
CID 90281909
[3-fluoro-5-(2,2,2-trifluoroethoxymethoxy)phenyl]methanamine
CID 106704805
1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
CID 174779911
[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 106531191
3-(aminomethyl)-N-(2,2-dimethylpropyl)-5-fluoro-N-methylaniline
CID 102813810
[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
CID 116788616
[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 21060332

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine (CID 102814557) is [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine is CC(C)(C)Oc1cc(F)cc(CN)c1.
What is the InChIKey of [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine?
The InChIKey is OYUMOTBPLAXCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,3)14-10-5-8(7-13)4-9(12)6-10/h4-6H,7,13H2,1-3H3.
What are the key properties of [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine?
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine has a molecular weight of 197.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine is sourced from PubChem (CID 102814557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).