[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine

C16H25NO — CID 43294242

IUPAC[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
SMILESCCc1ccccc1OC1CC(C)CCC1CN
InChIInChI=1S/C16H25NO/c1-3-13-6-4-5-7-15(13)18-16-10-12(2)8-9-14(16)11-17/h4-7,12,14,16H,3,8-11,17H2,1-2H3
InChIKeyYHMUUTFTPCQVLG-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.39
Rot. Bonds4

About [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine

[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine (PubChem CID 43294242) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
PubChem CID43294242
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
SMILESCCc1ccccc1OC1CC(C)CCC1CN
InChIInChI=1S/C16H25NO/c1-3-13-6-4-5-7-15(13)18-16-10-12(2)8-9-14(16)11-17/h4-7,12,14,16H,3,8-11,17H2,1-2H3
InChIKeyYHMUUTFTPCQVLG-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293992
[2-(2-fluorophenoxy)-4-methylcyclohexyl]methanamine
CID 43293926
[2-(4-ethoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293855
[2-(2,4-dichlorophenoxy)-4-methylcyclohexyl]methanamine
CID 43531167
[2-(2-methoxy-4-methylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294041
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
[2-(3-methoxyphenoxy)-4-methylcyclohexyl]methanamine
CID 43293897
[4-methyl-2-(2,3,6-trimethylphenoxy)cyclohexyl]methanamine
CID 43428941
[2-(3-tert-butylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294223
trans-(1R,2R)-2-(2-ethylphenoxy)cyclopentan-1-ol
CID 102735342
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine (CID 43294242) is [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine is CCc1ccccc1OC1CC(C)CCC1CN.
What is the InChIKey of [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine?
The InChIKey is YHMUUTFTPCQVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-13-6-4-5-7-15(13)18-16-10-12(2)8-9-14(16)11-17/h4-7,12,14,16H,3,8-11,17H2,1-2H3.
What are the key properties of [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine?
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine has a molecular weight of 247.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43294242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).