1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine

C13H20FNO — CID 105372271

IUPAC1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-4-13(3,15)9-16-8-11-7-12(14)6-5-10(11)2/h5-7H,4,8-9,15H2,1-3H3
InChIKeyWJGYMTDJCUQNCD-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.78
Rot. Bonds5

About 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine

1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine (PubChem CID 105372271) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine
PubChem CID105372271
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Name1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCc1cc(F)ccc1C
InChIInChI=1S/C13H20FNO/c1-4-13(3,15)9-16-8-11-7-12(14)6-5-10(11)2/h5-7H,4,8-9,15H2,1-3H3
InChIKeyWJGYMTDJCUQNCD-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-bromo-4-fluorophenyl)methoxy]-2-methylbutan-2-amine
CID 64574241
1-[(2,5-difluorophenyl)methoxy]-2-methylpropan-2-amine
CID 64537606
2-[(2-amino-2-ethylbutoxy)methyl]-4-fluorobenzonitrile
CID 114014527
1-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbutan-2-amine
CID 64572108
1-[(5-fluoro-2-methylphenyl)methylsulfanyl]-2-methylpropan-2-amine
CID 105371937
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine
CID 66364142
1-[(5-fluoro-2-methylphenyl)methoxymethyl]cycloheptan-1-amine
CID 105372272
N-[2-[(5-fluoro-2-methylphenyl)methoxy]ethyl]propan-2-amine
CID 105372265
2-[(5-fluoro-2-methylphenyl)methyl]-2-methylbutanoic acid
CID 105372510
1-(5-fluoro-2-methylphenyl)-2-phenylbutan-2-amine
CID 105373090
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-(5-fluoro-2-methylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 105371326

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine?
The IUPAC name of 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine (CID 105372271) is 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine?
The canonical SMILES for 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine is CCC(C)(N)COCc1cc(F)ccc1C.
What is the InChIKey of 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine?
The InChIKey is WJGYMTDJCUQNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-4-13(3,15)9-16-8-11-7-12(14)6-5-10(11)2/h5-7H,4,8-9,15H2,1-3H3.
What are the key properties of 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine?
1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine has a molecular weight of 225.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methylphenyl)methoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 105372271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).