3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine

C15H20FN — CID 65176745

IUPAC3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC1(C)CC(Cc2ccc(F)cc2)=CC(N)C1
InChIInChI=1S/C15H20FN/c1-15(2)9-12(8-14(17)10-15)7-11-3-5-13(16)6-4-11/h3-6,8,14H,7,9-10,17H2,1-2H3
InChIKeyUQUPELIFIGHXFJ-UHFFFAOYSA-N
MW233.33 g/mol
LogP3.44
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine

3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine (PubChem CID 65176745) has the molecular formula C15H20FN and a molecular weight of 233.33 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
PubChem CID65176745
Molecular FormulaC15H20FN
Molecular Weight233.33 g/mol
Exact Mass233.16
IUPAC Name3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine
SMILESCC1(C)CC(Cc2ccc(F)cc2)=CC(N)C1
InChIInChI=1S/C15H20FN/c1-15(2)9-12(8-14(17)10-15)7-11-3-5-13(16)6-4-11/h3-6,8,14H,7,9-10,17H2,1-2H3
InChIKeyUQUPELIFIGHXFJ-UHFFFAOYSA-N
XLogP3.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine (CID 65176745) is 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine is CC1(C)CC(Cc2ccc(F)cc2)=CC(N)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine?
The InChIKey is UQUPELIFIGHXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN/c1-15(2)9-12(8-14(17)10-15)7-11-3-5-13(16)6-4-11/h3-6,8,14H,7,9-10,17H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine?
3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine has a molecular weight of 233.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5,5-dimethylcyclohex-2-en-1-amine is sourced from PubChem (CID 65176745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).