2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine

C16H24FNO — CID 102981126

IUPAC2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Oc1cc(F)ccc1C
InChIInChI=1S/C16H24FNO/c1-10-7-12(3)16(14(8-10)18-4)19-15-9-13(17)6-5-11(15)2/h5-6,9-10,12,14,16,18H,7-8H2,1-4H3
InChIKeyRRJOYZVDWVLPLC-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.54
Rot. Bonds3

About 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine

2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 102981126) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID102981126
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1Oc1cc(F)ccc1C
InChIInChI=1S/C16H24FNO/c1-10-7-12(3)16(14(8-10)18-4)19-15-9-13(17)6-5-11(15)2/h5-6,9-10,12,14,16,18H,7-8H2,1-4H3
InChIKeyRRJOYZVDWVLPLC-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethylcyclohexyl)oxy-4-fluoro-1-methylbenzene
CID 102990439
2-(2-chloro-4-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine
CID 64751211
2-(2,4-difluorophenoxy)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752173
3-(5-fluoro-2-methylphenoxy)-N-methylcyclopentan-1-amine
CID 102981045
4-tert-butyl-2-(5-fluoro-2-methylphenoxy)-N-methylcyclohexan-1-amine
CID 102981123
3-(5-fluoro-2-methylphenoxy)azetidine
CID 84657893
2-cyclohexyloxy-4-fluoro-1-methylbenzene
CID 102990540
4-fluoro-2-(4-methoxycyclohexyl)oxy-1-methylbenzene
CID 90140548
N-(3,5-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 64722393
6-(5-fluoro-2-methylphenoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 102980961
3-(4-fluoro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943799
4-fluoro-2-[(1R,3S)-3-methoxycyclohexyl]oxy-1-methylbenzene
CID 90221775

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine (CID 102981126) is 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1Oc1cc(F)ccc1C.
What is the InChIKey of 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is RRJOYZVDWVLPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-10-7-12(3)16(14(8-10)18-4)19-15-9-13(17)6-5-11(15)2/h5-6,9-10,12,14,16,18H,7-8H2,1-4H3.
What are the key properties of 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine?
2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenoxy)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102981126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).