3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine

C12H24FN — CID 126984889

IUPAC3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine
SMILESCC1CCC(CC(F)C(C)(C)N)CC1
InChIInChI=1S/C12H24FN/c1-9-4-6-10(7-5-9)8-11(13)12(2,3)14/h9-11H,4-8,14H2,1-3H3
InChIKeyYGQREFHPVHTEFA-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.28
Rot. Bonds3

About 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine

3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine (PubChem CID 126984889) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine.

Molecular Properties

Compound Name3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine
PubChem CID126984889
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine
SMILESCC1CCC(CC(F)C(C)(C)N)CC1
InChIInChI=1S/C12H24FN/c1-9-4-6-10(7-5-9)8-11(13)12(2,3)14/h9-11H,4-8,14H2,1-3H3
InChIKeyYGQREFHPVHTEFA-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine?
The IUPAC name of 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine (CID 126984889) is 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine.
What is the SMILES notation for 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine?
The canonical SMILES for 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine is CC1CCC(CC(F)C(C)(C)N)CC1.
What is the InChIKey of 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine?
The InChIKey is YGQREFHPVHTEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FN/c1-9-4-6-10(7-5-9)8-11(13)12(2,3)14/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine?
3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine has a molecular weight of 201.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-4-(4-methylcyclohexyl)butan-2-amine is sourced from PubChem (CID 126984889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).