4-(1-aminocyclobutyl)-3-fluoroaniline

C10H13FN2 — CID 83412510

IUPAC4-(1-aminocyclobutyl)-3-fluoroaniline
SMILESNc1ccc(C2(N)CCC2)c(F)c1
InChIInChI=1S/C10H13FN2/c11-9-6-7(12)2-3-8(9)10(13)4-1-5-10/h2-3,6H,1,4-5,12-13H2
InChIKeyAYARQFXUPGXEPH-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.75
Rot. Bonds1

About 4-(1-aminocyclobutyl)-3-fluoroaniline

4-(1-aminocyclobutyl)-3-fluoroaniline (PubChem CID 83412510) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-(1-aminocyclobutyl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(1-aminocyclobutyl)-3-fluoroaniline
PubChem CID83412510
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-(1-aminocyclobutyl)-3-fluoroaniline
SMILESNc1ccc(C2(N)CCC2)c(F)c1
InChIInChI=1S/C10H13FN2/c11-9-6-7(12)2-3-8(9)10(13)4-1-5-10/h2-3,6H,1,4-5,12-13H2
InChIKeyAYARQFXUPGXEPH-UHFFFAOYSA-N
XLogP1.75
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
3-(1-aminocyclopropyl)-4-bromoaniline
CID 84690977
1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine
CID 83412153
1-(2-chloro-3,4-difluorophenyl)cyclobutan-1-amine
CID 117310218
1-(5-bromo-2,4-difluorophenyl)cyclopentan-1-amine
CID 84810883
4-(1-aminocyclopropyl)-3-chloroaniline
CID 123245803
1-(2,5-difluorophenyl)cyclopentan-1-amine
CID 62802401
1-(2,3-difluorophenyl)cyclobutan-1-amine
CID 83412499
1-(2,3,5-trifluoro-4-methylsulfanylphenyl)cyclobutan-1-amine
CID 117370183
1-(2,5-difluoro-4-methoxyphenyl)cyclobutan-1-amine
CID 117303916

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminocyclobutyl)-3-fluoroaniline?
The IUPAC name of 4-(1-aminocyclobutyl)-3-fluoroaniline (CID 83412510) is 4-(1-aminocyclobutyl)-3-fluoroaniline.
What is the SMILES notation for 4-(1-aminocyclobutyl)-3-fluoroaniline?
The canonical SMILES for 4-(1-aminocyclobutyl)-3-fluoroaniline is Nc1ccc(C2(N)CCC2)c(F)c1.
What is the InChIKey of 4-(1-aminocyclobutyl)-3-fluoroaniline?
The InChIKey is AYARQFXUPGXEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-9-6-7(12)2-3-8(9)10(13)4-1-5-10/h2-3,6H,1,4-5,12-13H2.
What are the key properties of 4-(1-aminocyclobutyl)-3-fluoroaniline?
4-(1-aminocyclobutyl)-3-fluoroaniline has a molecular weight of 180.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminocyclobutyl)-3-fluoroaniline is sourced from PubChem (CID 83412510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).