N-cyclohexyl-5-fluoro-2-methoxyaniline

C13H18FNO — CID 82539597

IUPACN-cyclohexyl-5-fluoro-2-methoxyaniline
SMILESCOc1ccc(F)cc1NC1CCCCC1
InChIInChI=1S/C13H18FNO/c1-16-13-8-7-10(14)9-12(13)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyFTJKAEZYIJJBBM-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.58
Rot. Bonds3

About N-cyclohexyl-5-fluoro-2-methoxyaniline

N-cyclohexyl-5-fluoro-2-methoxyaniline (PubChem CID 82539597) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-cyclohexyl-5-fluoro-2-methoxyaniline.

Molecular Properties

Compound NameN-cyclohexyl-5-fluoro-2-methoxyaniline
PubChem CID82539597
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-cyclohexyl-5-fluoro-2-methoxyaniline
SMILESCOc1ccc(F)cc1NC1CCCCC1
InChIInChI=1S/C13H18FNO/c1-16-13-8-7-10(14)9-12(13)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3
InChIKeyFTJKAEZYIJJBBM-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-fluoro-2-methoxyaniline?
The IUPAC name of N-cyclohexyl-5-fluoro-2-methoxyaniline (CID 82539597) is N-cyclohexyl-5-fluoro-2-methoxyaniline.
What is the SMILES notation for N-cyclohexyl-5-fluoro-2-methoxyaniline?
The canonical SMILES for N-cyclohexyl-5-fluoro-2-methoxyaniline is COc1ccc(F)cc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-fluoro-2-methoxyaniline?
The InChIKey is FTJKAEZYIJJBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-8-7-10(14)9-12(13)15-11-5-3-2-4-6-11/h7-9,11,15H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-5-fluoro-2-methoxyaniline?
N-cyclohexyl-5-fluoro-2-methoxyaniline has a molecular weight of 223.29 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-fluoro-2-methoxyaniline is sourced from PubChem (CID 82539597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).