1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

C18H28FN — CID 106880612

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCc1cc(C)c(C2(N)CC(C)CCC2C(C)C)c(F)c1
InChIInChI=1S/C18H28FN/c1-11(2)15-7-6-12(3)10-18(15,20)17-14(5)8-13(4)9-16(17)19/h8-9,11-12,15H,6-7,10,20H2,1-5H3
InChIKeyFVOBMDJYWJMXPU-UHFFFAOYSA-N
MW277.43 g/mol
LogP4.69
Rot. Bonds2

About 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine

1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 106880612) has the molecular formula C18H28FN and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID106880612
Molecular FormulaC18H28FN
Molecular Weight277.43 g/mol
Exact Mass277.22
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCc1cc(C)c(C2(N)CC(C)CCC2C(C)C)c(F)c1
InChIInChI=1S/C18H28FN/c1-11(2)15-7-6-12(3)10-18(15,20)17-14(5)8-13(4)9-16(17)19/h8-9,11-12,15H,6-7,10,20H2,1-5H3
InChIKeyFVOBMDJYWJMXPU-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 106880612) is 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is Cc1cc(C)c(C2(N)CC(C)CCC2C(C)C)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is FVOBMDJYWJMXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FN/c1-11(2)15-7-6-12(3)10-18(15,20)17-14(5)8-13(4)9-16(17)19/h8-9,11-12,15H,6-7,10,20H2,1-5H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine?
1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 277.43 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106880612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).