2-(4-aminocyclohexyl)oxy-4-fluoroaniline

C12H17FN2O — CID 117095536

IUPAC2-(4-aminocyclohexyl)oxy-4-fluoroaniline
SMILESNc1ccc(F)cc1OC1CCC(N)CC1
InChIInChI=1S/C12H17FN2O/c13-8-1-6-11(15)12(7-8)16-10-4-2-9(14)3-5-10/h1,6-7,9-10H,2-5,14-15H2
InChIKeyWWKMCAPLUKVSBF-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.06
Rot. Bonds2

About 2-(4-aminocyclohexyl)oxy-4-fluoroaniline

2-(4-aminocyclohexyl)oxy-4-fluoroaniline (PubChem CID 117095536) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-(4-aminocyclohexyl)oxy-4-fluoroaniline.

Molecular Properties

Compound Name2-(4-aminocyclohexyl)oxy-4-fluoroaniline
PubChem CID117095536
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-(4-aminocyclohexyl)oxy-4-fluoroaniline
SMILESNc1ccc(F)cc1OC1CCC(N)CC1
InChIInChI=1S/C12H17FN2O/c13-8-1-6-11(15)12(7-8)16-10-4-2-9(14)3-5-10/h1,6-7,9-10H,2-5,14-15H2
InChIKeyWWKMCAPLUKVSBF-UHFFFAOYSA-N
XLogP2.06
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.06
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-(4-aminocyclohexyl)oxyaniline
CID 117095465
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]-N-methylmethanesulfonamide
CID 58421598
N-[4-(2-amino-5-fluorophenoxy)cyclohexyl]methanesulfonamide
CID 58421492
4-fluoro-2-(1-methylazepan-4-yl)oxyaniline
CID 117095562
2-[[(3aR,6aS)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl]oxy]-4-fluoroaniline
CID 58421640
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
N-[3-(2-amino-5-fluorophenoxy)cyclobutyl]acetamide
CID 58421710
4-fluoro-2-(oxan-2-yloxy)aniline
CID 155295982
N-[3-(2-amino-5-fluorophenoxy)cyclopentyl]propanamide
CID 123859040
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 76781898
3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one
CID 117095532

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocyclohexyl)oxy-4-fluoroaniline?
The IUPAC name of 2-(4-aminocyclohexyl)oxy-4-fluoroaniline (CID 117095536) is 2-(4-aminocyclohexyl)oxy-4-fluoroaniline.
What is the SMILES notation for 2-(4-aminocyclohexyl)oxy-4-fluoroaniline?
The canonical SMILES for 2-(4-aminocyclohexyl)oxy-4-fluoroaniline is Nc1ccc(F)cc1OC1CCC(N)CC1.
What is the InChIKey of 2-(4-aminocyclohexyl)oxy-4-fluoroaniline?
The InChIKey is WWKMCAPLUKVSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-8-1-6-11(15)12(7-8)16-10-4-2-9(14)3-5-10/h1,6-7,9-10H,2-5,14-15H2.
What are the key properties of 2-(4-aminocyclohexyl)oxy-4-fluoroaniline?
2-(4-aminocyclohexyl)oxy-4-fluoroaniline has a molecular weight of 224.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocyclohexyl)oxy-4-fluoroaniline is sourced from PubChem (CID 117095536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).