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

C11H16FN — CID 84658124

IUPAC[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
SMILESCC(C)(F)Cc1ccccc1CN
InChIInChI=1S/C11H16FN/c1-11(2,12)7-9-5-3-4-6-10(9)8-13/h3-6H,7-8,13H2,1-2H3
InChIKeyBYHGGLFJQBTXDY-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.44
Rot. Bonds3

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

[2-(2-fluoro-2-methylpropyl)phenyl]methanamine (PubChem CID 84658124) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is [2-(2-fluoro-2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
PubChem CID84658124
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name[2-(2-fluoro-2-methylpropyl)phenyl]methanamine
SMILESCC(C)(F)Cc1ccccc1CN
InChIInChI=1S/C11H16FN/c1-11(2,12)7-9-5-3-4-6-10(9)8-13/h3-6H,7-8,13H2,1-2H3
InChIKeyBYHGGLFJQBTXDY-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-fluoro-2-methylpropyl)phenyl]ethanol
CID 117286474
1-(2-fluoro-2-methylpropyl)naphthalene
CID 118859745
2-amino-3-[2-(2-fluoro-2-methylpropyl)phenyl]propanoic acid
CID 117350993
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2-amino-1-[2-(2-fluoro-2-methylpropyl)phenyl]propan-1-one
CID 84688472
1-[2-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84724008
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
CID 84718573
[2-(tert-butylsulfonylmethyl)phenyl]methanamine
CID 64697384
2-methylpropan-2-amine;naphthalen-1-ylmethanamine
CID 142317452
2-[2-(aminomethyl)phenyl]acetaldehyde
CID 20545258
2-[2-[2-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 150452030

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-2-methylpropyl)phenyl]methanamine?
The IUPAC name of [2-(2-fluoro-2-methylpropyl)phenyl]methanamine (CID 84658124) is [2-(2-fluoro-2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for [2-(2-fluoro-2-methylpropyl)phenyl]methanamine?
The canonical SMILES for [2-(2-fluoro-2-methylpropyl)phenyl]methanamine is CC(C)(F)Cc1ccccc1CN.
What is the InChIKey of [2-(2-fluoro-2-methylpropyl)phenyl]methanamine?
The InChIKey is BYHGGLFJQBTXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-11(2,12)7-9-5-3-4-6-10(9)8-13/h3-6H,7-8,13H2,1-2H3.
What are the key properties of [2-(2-fluoro-2-methylpropyl)phenyl]methanamine?
[2-(2-fluoro-2-methylpropyl)phenyl]methanamine has a molecular weight of 181.25 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 84658124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).