2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline

C11H15FN2O — CID 82508066

IUPAC2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
SMILESNCc1cc(OC2CCC2)c(F)cc1N
InChIInChI=1S/C11H15FN2O/c12-9-5-10(14)7(6-13)4-11(9)15-8-2-1-3-8/h4-5,8H,1-3,6,13-14H2
InChIKeyZHZDSMRWDXVESK-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.80
Rot. Bonds3

About 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline

2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline (PubChem CID 82508066) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
PubChem CID82508066
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
SMILESNCc1cc(OC2CCC2)c(F)cc1N
InChIInChI=1S/C11H15FN2O/c12-9-5-10(14)7(6-13)4-11(9)15-8-2-1-3-8/h4-5,8H,1-3,6,13-14H2
InChIKeyZHZDSMRWDXVESK-UHFFFAOYSA-N
XLogP1.80
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.80
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-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
2-(aminomethyl)-4-cyclopentyloxyaniline
CID 82507186
4-(3-ethylcyclohexyl)oxy-5-fluoro-2-methylaniline
CID 114416205
2,5-difluoro-4-(4-methylcyclohexyl)oxyaniline
CID 64750398
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
4-cyclohexyloxy-3-fluoroaniline
CID 19627258
[5-fluoro-2-methoxy-4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]methanamine
CID 135337978
5-fluoro-4-methyl-2-(3-methylcyclohexyl)oxyaniline
CID 103590981
(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
CID 117460840
2-cyclopropyloxy-5-ethyl-4-fluoroaniline
CID 161010618
2-(4,4-dimethylcyclohexyl)oxy-5-fluoro-4-methoxyaniline
CID 114340502
(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline?
The IUPAC name of 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline (CID 82508066) is 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline.
What is the SMILES notation for 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline?
The canonical SMILES for 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline is NCc1cc(OC2CCC2)c(F)cc1N.
What is the InChIKey of 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline?
The InChIKey is ZHZDSMRWDXVESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-9-5-10(14)7(6-13)4-11(9)15-8-2-1-3-8/h4-5,8H,1-3,6,13-14H2.
What are the key properties of 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline?
2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline has a molecular weight of 210.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline is sourced from PubChem (CID 82508066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).