2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine

C11H16FN — CID 84718573

IUPAC2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(C)(F)CN
InChIInChI=1S/C11H16FN/c1-9-5-3-4-6-10(9)7-11(2,12)8-13/h3-6H,7-8,13H2,1-2H3
InChIKeyNDKWBIFTZBHNNF-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.22
Rot. Bonds3

About 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine

2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine (PubChem CID 84718573) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
PubChem CID84718573
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
SMILESCc1ccccc1CC(C)(F)CN
InChIInChI=1S/C11H16FN/c1-9-5-3-4-6-10(9)7-11(2,12)8-13/h3-6H,7-8,13H2,1-2H3
InChIKeyNDKWBIFTZBHNNF-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine?
The IUPAC name of 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine (CID 84718573) is 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine is Cc1ccccc1CC(C)(F)CN.
What is the InChIKey of 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine?
The InChIKey is NDKWBIFTZBHNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-9-5-3-4-6-10(9)7-11(2,12)8-13/h3-6H,7-8,13H2,1-2H3.
What are the key properties of 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine?
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine has a molecular weight of 181.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine is sourced from PubChem (CID 84718573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).