[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine

C13H20FN — CID 115026580

IUPAC[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
SMILESCC(C)(C)C(C)(F)c1cccc(CN)c1
InChIInChI=1S/C13H20FN/c1-12(2,3)13(4,14)11-7-5-6-10(8-11)9-15/h5-8H,9,15H2,1-4H3
InChIKeyZPTJDUYOSLUTKG-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.38
Rot. Bonds2

About [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine

[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine (PubChem CID 115026580) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
PubChem CID115026580
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
SMILESCC(C)(C)C(C)(F)c1cccc(CN)c1
InChIInChI=1S/C13H20FN/c1-12(2,3)13(4,14)11-7-5-6-10(8-11)9-15/h5-8H,9,15H2,1-4H3
InChIKeyZPTJDUYOSLUTKG-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-chloropropan-2-yl)phenyl]methanamine
CID 174940258
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642
[3-(2-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115036313
1-[3-(aminomethyl)phenyl]-1-cyclopropylethanol
CID 115018710
[3-(2-methyl-1-methylsulfonylpropan-2-yl)phenyl]methanamine
CID 115044421
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705
[3-[2-[2-(aminomethyl)phenyl]propan-2-yl]phenyl]methanamine
CID 150028791
[3-(1-fluoro-1-pyrrolidin-3-ylethyl)phenyl]methanamine
CID 115033504
2,2-dimethylpropane;phenylmethanamine
CID 158787980
ethane;[3-[(Z,2E)-2-ethylidene-1,1-difluoro-3-methylpent-3-enyl]phenyl]methanamine;2-methylpropane-2-thiol
CID 142472178
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
phenylmethanamine;2-phenylpropan-2-amine;hydrochloride
CID 174901598

Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine?
The IUPAC name of [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine (CID 115026580) is [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine is CC(C)(C)C(C)(F)c1cccc(CN)c1.
What is the InChIKey of [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine?
The InChIKey is ZPTJDUYOSLUTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-12(2,3)13(4,14)11-7-5-6-10(8-11)9-15/h5-8H,9,15H2,1-4H3.
What are the key properties of [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine?
[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine has a molecular weight of 209.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine is sourced from PubChem (CID 115026580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).