(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone

C15H20FNO — CID 106882968

IUPAC(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2(N)CCCCC2)c(F)c1
InChIInChI=1S/C15H20FNO/c1-10-8-11(2)13(12(16)9-10)14(18)15(17)6-4-3-5-7-15/h8-9H,3-7,17H2,1-2H3
InChIKeyPRDSPMOCSTZNRU-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.29
Rot. Bonds2

About (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone

(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106882968) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106882968
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2(N)CCCCC2)c(F)c1
InChIInChI=1S/C15H20FNO/c1-10-8-11(2)13(12(16)9-10)14(18)15(17)6-4-3-5-7-15/h8-9H,3-7,17H2,1-2H3
InChIKeyPRDSPMOCSTZNRU-UHFFFAOYSA-N
XLogP3.29
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106882968) is (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2(N)CCCCC2)c(F)c1.
What is the InChIKey of (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is PRDSPMOCSTZNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10-8-11(2)13(12(16)9-10)14(18)15(17)6-4-3-5-7-15/h8-9H,3-7,17H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone?
(1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 249.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106882968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).