N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline

C22H26FNO2 — CID 166763856

IUPACN-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
SMILESC=C(OCC1CCCCC1)N(c1ccc(OC)cc1)c1cccc(F)c1
InChIInChI=1S/C22H26FNO2/c1-17(26-16-18-7-4-3-5-8-18)24(21-10-6-9-19(23)15-21)20-11-13-22(25-2)14-12-20/h6,9-15,18H,1,3-5,7-8,16H2,2H3
InChIKeyXBGUVCVNWZIMOV-UHFFFAOYSA-N
MW355.45 g/mol
LogP6.04
Rot. Bonds7

About N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline

N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline (PubChem CID 166763856) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound NameN-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
PubChem CID166763856
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC NameN-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
SMILESC=C(OCC1CCCCC1)N(c1ccc(OC)cc1)c1cccc(F)c1
InChIInChI=1S/C22H26FNO2/c1-17(26-16-18-7-4-3-5-8-18)24(21-10-6-9-19(23)15-21)20-11-13-22(25-2)14-12-20/h6,9-15,18H,1,3-5,7-8,16H2,2H3
InChIKeyXBGUVCVNWZIMOV-UHFFFAOYSA-N
XLogP6.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline?
The IUPAC name of N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline (CID 166763856) is N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline?
The canonical SMILES for N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline is C=C(OCC1CCCCC1)N(c1ccc(OC)cc1)c1cccc(F)c1.
What is the InChIKey of N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline?
The InChIKey is XBGUVCVNWZIMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-17(26-16-18-7-4-3-5-8-18)24(21-10-6-9-19(23)15-21)20-11-13-22(25-2)14-12-20/h6,9-15,18H,1,3-5,7-8,16H2,2H3.
What are the key properties of N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline?
N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline has a molecular weight of 355.45 g/mol, XLogP of 6.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 166763856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).