4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine

C15H22FNO — CID 64856159

IUPAC4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
SMILESCCC1CCC(N)C(Oc2cc(C)ccc2F)C1
InChIInChI=1S/C15H22FNO/c1-3-11-5-7-13(17)15(9-11)18-14-8-10(2)4-6-12(14)16/h4,6,8,11,13,15H,3,5,7,9,17H2,1-2H3
InChIKeyJNGTYPQAQOIETB-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.42
Rot. Bonds3

About 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine

4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine (PubChem CID 64856159) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
PubChem CID64856159
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine
SMILESCCC1CCC(N)C(Oc2cc(C)ccc2F)C1
InChIInChI=1S/C15H22FNO/c1-3-11-5-7-13(17)15(9-11)18-14-8-10(2)4-6-12(14)16/h4,6,8,11,13,15H,3,5,7,9,17H2,1-2H3
InChIKeyJNGTYPQAQOIETB-UHFFFAOYSA-N
XLogP3.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluoro-5-methylphenoxy)oxan-4-amine
CID 64854428
4-ethyl-2-[(2-methoxy-5-methylphenyl)methyl]cyclohexan-1-amine
CID 55041701
[4-ethyl-2-(2,3,5-trimethylphenoxy)cyclohexyl]methanamine
CID 43294100
2-(2-chloro-4-methylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63500202
2-(2,4-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63473606
2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292294
2-(2,5-dimethylphenoxy)-N,4-diethylcyclohexan-1-amine
CID 63475594
2-[(2,5-dimethylphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 55185587
3-(2-fluoro-5-methylphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66350732
2-(2,5-dimethylphenyl)-4-ethylcyclohexan-1-amine
CID 81014170
2-(2,5-dimethylphenyl)sulfanyl-4-ethylcyclohexan-1-amine
CID 64648048
N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943730

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine (CID 64856159) is 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine is CCC1CCC(N)C(Oc2cc(C)ccc2F)C1.
What is the InChIKey of 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine?
The InChIKey is JNGTYPQAQOIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-11-5-7-13(17)15(9-11)18-14-8-10(2)4-6-12(14)16/h4,6,8,11,13,15H,3,5,7,9,17H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine?
4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-fluoro-5-methylphenoxy)cyclohexan-1-amine is sourced from PubChem (CID 64856159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).