[3-(1-fluoro-2-methylpropyl)phenyl]methanamine

C11H16FN — CID 83856261

IUPAC[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
SMILESCC(C)C(F)c1cccc(CN)c1
InChIInChI=1S/C11H16FN/c1-8(2)11(12)10-5-3-4-9(6-10)7-13/h3-6,8,11H,7,13H2,1-2H3
InChIKeyXLQQNJLQRGVYQO-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.81
Rot. Bonds3

About [3-(1-fluoro-2-methylpropyl)phenyl]methanamine

[3-(1-fluoro-2-methylpropyl)phenyl]methanamine (PubChem CID 83856261) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is [3-(1-fluoro-2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
PubChem CID83856261
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name[3-(1-fluoro-2-methylpropyl)phenyl]methanamine
SMILESCC(C)C(F)c1cccc(CN)c1
InChIInChI=1S/C11H16FN/c1-8(2)11(12)10-5-3-4-9(6-10)7-13/h3-6,8,11H,7,13H2,1-2H3
InChIKeyXLQQNJLQRGVYQO-UHFFFAOYSA-N
XLogP2.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-propan-2-ylphenyl)methanamine
CID 21085835
[3-(3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115018814
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
[3-(1,2,2,2-tetrafluoroethyl)phenyl]methanamine
CID 83856265
1-[3-(aminomethyl)phenyl]ethanesulfonamide
CID 91356292
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
[1-[3-(aminomethyl)phenyl]-2-methylpropyl] carbamate
CID 174531386
1-[3-(aminomethyl)phenyl]propane-1,2,3-triol
CID 170817590
3-(aminomethyl)-N-(3-methylbutan-2-yl)aniline
CID 126999262
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
1-[3-(aminomethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 116907106
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248

Frequently Asked Questions

What is the IUPAC name of [3-(1-fluoro-2-methylpropyl)phenyl]methanamine?
The IUPAC name of [3-(1-fluoro-2-methylpropyl)phenyl]methanamine (CID 83856261) is [3-(1-fluoro-2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for [3-(1-fluoro-2-methylpropyl)phenyl]methanamine?
The canonical SMILES for [3-(1-fluoro-2-methylpropyl)phenyl]methanamine is CC(C)C(F)c1cccc(CN)c1.
What is the InChIKey of [3-(1-fluoro-2-methylpropyl)phenyl]methanamine?
The InChIKey is XLQQNJLQRGVYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)11(12)10-5-3-4-9(6-10)7-13/h3-6,8,11H,7,13H2,1-2H3.
What are the key properties of [3-(1-fluoro-2-methylpropyl)phenyl]methanamine?
[3-(1-fluoro-2-methylpropyl)phenyl]methanamine has a molecular weight of 181.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-fluoro-2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 83856261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).