2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine

C16H24FNO — CID 115968035

IUPAC2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCc1ccc(F)cc1CNCCOC1CCCCC1
InChIInChI=1S/C16H24FNO/c1-13-7-8-15(17)11-14(13)12-18-9-10-19-16-5-3-2-4-6-16/h7-8,11,16,18H,2-6,9-10,12H2,1H3
InChIKeyJAYMKHFPRJQCMT-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.57
Rot. Bonds6

About 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine

2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 115968035) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID115968035
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCc1ccc(F)cc1CNCCOC1CCCCC1
InChIInChI=1S/C16H24FNO/c1-13-7-8-15(17)11-14(13)12-18-9-10-19-16-5-3-2-4-6-16/h7-8,11,16,18H,2-6,9-10,12H2,1H3
InChIKeyJAYMKHFPRJQCMT-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine (CID 115968035) is 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine is Cc1ccc(F)cc1CNCCOC1CCCCC1.
What is the InChIKey of 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is JAYMKHFPRJQCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-13-7-8-15(17)11-14(13)12-18-9-10-19-16-5-3-2-4-6-16/h7-8,11,16,18H,2-6,9-10,12H2,1H3.
What are the key properties of 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine?
2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 265.37 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[(5-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 115968035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).