3-fluoro-2-(3-methoxycyclohexyl)oxyaniline

C13H18FNO2 — CID 104831451

IUPAC3-fluoro-2-(3-methoxycyclohexyl)oxyaniline
SMILESCOC1CCCC(Oc2c(N)cccc2F)C1
InChIInChI=1S/C13H18FNO2/c1-16-9-4-2-5-10(8-9)17-13-11(14)6-3-7-12(13)15/h3,6-7,9-10H,2,4-5,8,15H2,1H3
InChIKeyIGZZGRJHZWFKEJ-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.74
Rot. Bonds3

About 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline

3-fluoro-2-(3-methoxycyclohexyl)oxyaniline (PubChem CID 104831451) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-2-(3-methoxycyclohexyl)oxyaniline
PubChem CID104831451
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-fluoro-2-(3-methoxycyclohexyl)oxyaniline
SMILESCOC1CCCC(Oc2c(N)cccc2F)C1
InChIInChI=1S/C13H18FNO2/c1-16-9-4-2-5-10(8-9)17-13-11(14)6-3-7-12(13)15/h3,6-7,9-10H,2,4-5,8,15H2,1H3
InChIKeyIGZZGRJHZWFKEJ-UHFFFAOYSA-N
XLogP2.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(3-methoxycyclohexyl)oxy-3-methylaniline
CID 79844756
4-fluoro-1-(3-methoxycyclohexyl)indole
CID 113342463
1-chloro-2-cyclopentyloxy-3-fluorobenzene
CID 130057769
tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951
3-fluoro-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 104831304
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049
methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
CID 112579722
[3-chloro-2-(3-methoxycyclohexyl)oxyphenyl]methanol
CID 112612756
(3-methoxycyclohexyl) 2,3-difluorobenzoate
CID 62867405
1-(bromomethyl)-3-fluoro-2-(3-methylcyclohexyl)oxybenzene
CID 112613992
5-(3-methylcyclohexyl)oxynaphthalen-1-amine
CID 82037851
1-bromo-2-fluoro-4-(3-methoxycyclohexyl)oxybenzene
CID 65202671

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline?
The IUPAC name of 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline (CID 104831451) is 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline.
What is the SMILES notation for 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline?
The canonical SMILES for 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline is COC1CCCC(Oc2c(N)cccc2F)C1.
What is the InChIKey of 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline?
The InChIKey is IGZZGRJHZWFKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-16-9-4-2-5-10(8-9)17-13-11(14)6-3-7-12(13)15/h3,6-7,9-10H,2,4-5,8,15H2,1H3.
What are the key properties of 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline?
3-fluoro-2-(3-methoxycyclohexyl)oxyaniline has a molecular weight of 239.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-methoxycyclohexyl)oxyaniline is sourced from PubChem (CID 104831451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).