3-fluoro-4-(2-methylcyclohexyl)oxyaniline

C13H18FNO — CID 43123610

IUPAC3-fluoro-4-(2-methylcyclohexyl)oxyaniline
SMILESCC1CCCCC1Oc1ccc(N)cc1F
InChIInChI=1S/C13H18FNO/c1-9-4-2-3-5-12(9)16-13-7-6-10(15)8-11(13)14/h6-9,12H,2-5,15H2,1H3
InChIKeyNJYYUGJZYNFPSR-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.37
Rot. Bonds2

About 3-fluoro-4-(2-methylcyclohexyl)oxyaniline

3-fluoro-4-(2-methylcyclohexyl)oxyaniline (PubChem CID 43123610) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-fluoro-4-(2-methylcyclohexyl)oxyaniline.

Molecular Properties

Compound Name3-fluoro-4-(2-methylcyclohexyl)oxyaniline
PubChem CID43123610
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-fluoro-4-(2-methylcyclohexyl)oxyaniline
SMILESCC1CCCCC1Oc1ccc(N)cc1F
InChIInChI=1S/C13H18FNO/c1-9-4-2-3-5-12(9)16-13-7-6-10(15)8-11(13)14/h6-9,12H,2-5,15H2,1H3
InChIKeyNJYYUGJZYNFPSR-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-cyclohexyloxy-3-fluoroaniline
CID 19627258
1-[3-fluoro-4-(2-methylcyclohexyl)oxyphenyl]ethanone
CID 43188667
2,4-difluoro-6-(2-methylcyclohexyl)oxyaniline
CID 115507283
3-fluoro-4-[(2-methylcyclohexyl)oxymethyl]aniline
CID 64768102
2-(2-methylcyclohexyl)oxy-5-(trifluoromethyl)aniline
CID 43098974
4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]oxy]-3-fluoroaniline
CID 28872657
cis-(1R,2S)-2-(4-amino-2-fluorophenoxy)-4,4-difluorocyclopentan-1-ol
CID 139533346
1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 43189015
(1R)-1-[2-fluoro-6-(2-methylcyclohexyl)oxyphenyl]ethanamine
CID 55183517
5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide
CID 63667480
2-(2,4-difluorophenoxy)cyclooctan-1-amine
CID 45253704
4-(4-amino-2-fluorophenoxy)cyclohexan-1-one
CID 117096207

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methylcyclohexyl)oxyaniline?
The IUPAC name of 3-fluoro-4-(2-methylcyclohexyl)oxyaniline (CID 43123610) is 3-fluoro-4-(2-methylcyclohexyl)oxyaniline.
What is the SMILES notation for 3-fluoro-4-(2-methylcyclohexyl)oxyaniline?
The canonical SMILES for 3-fluoro-4-(2-methylcyclohexyl)oxyaniline is CC1CCCCC1Oc1ccc(N)cc1F.
What is the InChIKey of 3-fluoro-4-(2-methylcyclohexyl)oxyaniline?
The InChIKey is NJYYUGJZYNFPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-4-2-3-5-12(9)16-13-7-6-10(15)8-11(13)14/h6-9,12H,2-5,15H2,1H3.
What are the key properties of 3-fluoro-4-(2-methylcyclohexyl)oxyaniline?
3-fluoro-4-(2-methylcyclohexyl)oxyaniline has a molecular weight of 223.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methylcyclohexyl)oxyaniline is sourced from PubChem (CID 43123610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).