4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine

C11H18FN — CID 146251037

IUPAC4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
SMILESCC1=C(F)CC(CC(C)C)C(N)=C1
InChIInChI=1S/C11H18FN/c1-7(2)4-9-6-10(12)8(3)5-11(9)13/h5,7,9H,4,6,13H2,1-3H3
InChIKeyYFJLXUVVIOBRLI-UHFFFAOYSA-N
MW183.27 g/mol
LogP3.14
Rot. Bonds2

About 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine

4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine (PubChem CID 146251037) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
PubChem CID146251037
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
SMILESCC1=C(F)CC(CC(C)C)C(N)=C1
InChIInChI=1S/C11H18FN/c1-7(2)4-9-6-10(12)8(3)5-11(9)13/h5,7,9H,4,6,13H2,1-3H3
InChIKeyYFJLXUVVIOBRLI-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine (CID 146251037) is 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine is CC1=C(F)CC(CC(C)C)C(N)=C1.
What is the InChIKey of 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is YFJLXUVVIOBRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-7(2)4-9-6-10(12)8(3)5-11(9)13/h5,7,9H,4,6,13H2,1-3H3.
What are the key properties of 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 146251037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).