2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline

C13H19FN2O — CID 117095540

IUPAC2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
SMILESNCC1CCCCC1Oc1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O/c14-10-5-6-11(16)13(7-10)17-12-4-2-1-3-9(12)8-15/h5-7,9,12H,1-4,8,15-16H2
InChIKeyJLFCKIGKJYRFOA-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.30
Rot. Bonds3

About 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline

2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline (PubChem CID 117095540) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline.

Molecular Properties

Compound Name2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
PubChem CID117095540
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline
SMILESNCC1CCCCC1Oc1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O/c14-10-5-6-11(16)13(7-10)17-12-4-2-1-3-9(12)8-15/h5-7,9,12H,1-4,8,15-16H2
InChIKeyJLFCKIGKJYRFOA-UHFFFAOYSA-N
XLogP2.30
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-fluorophenoxy)cyclopentyl]methanamine
CID 43293996
[2-(2,4-dichlorophenoxy)cyclohexyl]methanamine
CID 43531169
4-fluoro-2-(oxan-2-yloxy)aniline
CID 155295982
[2-(2-methylphenoxy)cyclopentyl]methanamine
CID 43293964
[2-(4-tert-butyl-2-methylphenoxy)cyclohexyl]methanamine
CID 43294229
2-(4-aminocyclohexyl)oxy-4-fluoroaniline
CID 117095536
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
CID 107014244
[2-(4-tert-butyl-2-methylphenoxy)cycloheptyl]methanamine
CID 43294228
[2-(2-propoxyphenoxy)cycloheptyl]methanamine
CID 43294055
[2-(2,4-dichlorophenoxy)cyclopentyl]methanamine
CID 43531164
2-[[(3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-4-fluoroaniline
CID 118167573
2-(2,4-difluorophenoxy)cyclooctan-1-amine
CID 45253704

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline?
The IUPAC name of 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline (CID 117095540) is 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline.
What is the SMILES notation for 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline?
The canonical SMILES for 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline is NCC1CCCCC1Oc1cc(F)ccc1N.
What is the InChIKey of 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline?
The InChIKey is JLFCKIGKJYRFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c14-10-5-6-11(16)13(7-10)17-12-4-2-1-3-9(12)8-15/h5-7,9,12H,1-4,8,15-16H2.
What are the key properties of 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline?
2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline has a molecular weight of 238.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)cyclohexyl]oxy-4-fluoroaniline is sourced from PubChem (CID 117095540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).