2-fluoro-N-(2-methoxycyclohexyl)aniline

C13H18FNO — CID 43763385

IUPAC2-fluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3
InChIKeyJCNMOCKAFLITSS-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.20
Rot. Bonds3

About 2-fluoro-N-(2-methoxycyclohexyl)aniline

2-fluoro-N-(2-methoxycyclohexyl)aniline (PubChem CID 43763385) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxycyclohexyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxycyclohexyl)aniline
PubChem CID43763385
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-fluoro-N-(2-methoxycyclohexyl)aniline
SMILESCOC1CCCCC1Nc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3
InChIKeyJCNMOCKAFLITSS-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxycyclohexyl)aniline?
The IUPAC name of 2-fluoro-N-(2-methoxycyclohexyl)aniline (CID 43763385) is 2-fluoro-N-(2-methoxycyclohexyl)aniline.
What is the SMILES notation for 2-fluoro-N-(2-methoxycyclohexyl)aniline?
The canonical SMILES for 2-fluoro-N-(2-methoxycyclohexyl)aniline is COC1CCCCC1Nc1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxycyclohexyl)aniline?
The InChIKey is JCNMOCKAFLITSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-16-13-9-5-4-8-12(13)15-11-7-3-2-6-10(11)14/h2-3,6-7,12-13,15H,4-5,8-9H2,1H3.
What are the key properties of 2-fluoro-N-(2-methoxycyclohexyl)aniline?
2-fluoro-N-(2-methoxycyclohexyl)aniline has a molecular weight of 223.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxycyclohexyl)aniline is sourced from PubChem (CID 43763385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).