4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine

C18H28FNO — CID 102981123

IUPAC4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Oc1cc(F)ccc1C
InChIInChI=1S/C18H28FNO/c1-12-6-8-14(19)11-16(12)21-17-10-13(18(2,3)4)7-9-15(17)20-5/h6,8,11,13,15,17,20H,7,9-10H2,1-5H3
InChIKeyGVQMRUJFVTZUSZ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.32
Rot. Bonds3

About 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine

4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine (PubChem CID 102981123) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine
PubChem CID102981123
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(C(C)(C)C)CC1Oc1cc(F)ccc1C
InChIInChI=1S/C18H28FNO/c1-12-6-8-14(19)11-16(12)21-17-10-13(18(2,3)4)7-9-15(17)20-5/h6,8,11,13,15,17,20H,7,9-10H2,1-5H3
InChIKeyGVQMRUJFVTZUSZ-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 102981126
6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 102980961
4-tert-butyl-N-ethyl-2-(2-fluorophenoxy)cyclohexan-1-amine
CID 63475772
4-tert-butyl-2-[(3,4-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 63401757
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
4-tert-butyl-2-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 63401443
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
4-tert-butyl-2-(3,4-dimethylphenoxy)cyclohexan-1-ol
CID 63472729
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
2-(5-fluoro-2-methylphenoxy)-4-propan-2-ylcyclohexan-1-amine
CID 102981024

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine (CID 102981123) is 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine is CNC1CCC(C(C)(C)C)CC1Oc1cc(F)ccc1C.
What is the InChIKey of 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine?
The InChIKey is GVQMRUJFVTZUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-12-6-8-14(19)11-16(12)21-17-10-13(18(2,3)4)7-9-15(17)20-5/h6,8,11,13,15,17,20H,7,9-10H2,1-5H3.
What are the key properties of 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine?
4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102981123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).