4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine

C15H22FN — CID 143189826

IUPAC4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine
SMILESCC1=C(NC2CCC(C)CC2)CC=CC(F)=C1
InChIInChI=1S/C15H22FN/c1-11-6-8-14(9-7-11)17-15-5-3-4-13(16)10-12(15)2/h3-4,10-11,14,17H,5-9H2,1-2H3
InChIKeyXBQAMVKUSFQFBE-UHFFFAOYSA-N
MW235.35 g/mol
LogP4.24
Rot. Bonds2

About 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine

4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine (PubChem CID 143189826) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine
PubChem CID143189826
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC Name4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine
SMILESCC1=C(NC2CCC(C)CC2)CC=CC(F)=C1
InChIInChI=1S/C15H22FN/c1-11-6-8-14(9-7-11)17-15-5-3-4-13(16)10-12(15)2/h3-4,10-11,14,17H,5-9H2,1-2H3
InChIKeyXBQAMVKUSFQFBE-UHFFFAOYSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine?
The IUPAC name of 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine (CID 143189826) is 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine.
What is the SMILES notation for 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine?
The canonical SMILES for 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine is CC1=C(NC2CCC(C)CC2)CC=CC(F)=C1.
What is the InChIKey of 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine?
The InChIKey is XBQAMVKUSFQFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11-6-8-14(9-7-11)17-15-5-3-4-13(16)10-12(15)2/h3-4,10-11,14,17H,5-9H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine?
4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine has a molecular weight of 235.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(4-methylcyclohexyl)cyclohepta-1,3,5-trien-1-amine is sourced from PubChem (CID 143189826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).