1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine

C11H16FN — CID 54775601

IUPAC1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(C(C)C)cc1F
InChIInChI=1S/C11H16FN/c1-8(2)9-4-5-10(7-13-3)11(12)6-9/h4-6,8,13H,7H2,1-3H3
InChIKeyILJVUPRQFACFNS-UHFFFAOYSA-N
MW181.25 g/mol
LogP2.67
Rot. Bonds3

About 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine

1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine (PubChem CID 54775601) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine
PubChem CID54775601
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine
SMILESCNCc1ccc(C(C)C)cc1F
InChIInChI=1S/C11H16FN/c1-8(2)9-4-5-10(7-13-3)11(12)6-9/h4-6,8,13H,7H2,1-3H3
InChIKeyILJVUPRQFACFNS-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine (CID 54775601) is 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine is CNCc1ccc(C(C)C)cc1F.
What is the InChIKey of 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine?
The InChIKey is ILJVUPRQFACFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)9-4-5-10(7-13-3)11(12)6-9/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine?
1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine has a molecular weight of 181.25 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-propan-2-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 54775601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).