4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline

C15H22FNO — CID 62566177

IUPAC4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
SMILESCC1CCC(OCCNc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO/c1-12-2-8-15(9-3-12)18-11-10-17-14-6-4-13(16)5-7-14/h4-7,12,15,17H,2-3,8-11H2,1H3
InChIKeyAHNZUARHDLYHOY-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.83
Rot. Bonds5

About 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline

4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline (PubChem CID 62566177) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
PubChem CID62566177
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline
SMILESCC1CCC(OCCNc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FNO/c1-12-2-8-15(9-3-12)18-11-10-17-14-6-4-13(16)5-7-14/h4-7,12,15,17H,2-3,8-11H2,1H3
InChIKeyAHNZUARHDLYHOY-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.83
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 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline (CID 62566177) is 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline is CC1CCC(OCCNc2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline?
The InChIKey is AHNZUARHDLYHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-12-2-8-15(9-3-12)18-11-10-17-14-6-4-13(16)5-7-14/h4-7,12,15,17H,2-3,8-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline?
4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline has a molecular weight of 251.34 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-methylcyclohexyl)oxyethyl]aniline is sourced from PubChem (CID 62566177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).