4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline

C29H26F2N2O2 — CID 139669166

IUPAC4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline
SMILESNc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)c(F)c4)CCCC3)cc2F)cc1
InChIInChI=1S/C29H26F2N2O2/c30-25-17-19(3-13-27(25)34-23-9-5-21(32)6-10-23)29(15-1-2-16-29)20-4-14-28(26(31)18-20)35-24-11-7-22(33)8-12-24/h3-14,17-18H,1-2,15-16,32-33H2
InChIKeyFWYZYRZLNDSXPZ-UHFFFAOYSA-N
MW472.54 g/mol
LogP7.57
Rot. Bonds6

About 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline

4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline (PubChem CID 139669166) has the molecular formula C29H26F2N2O2 and a molecular weight of 472.54 g/mol. Its IUPAC name is 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline.

Molecular Properties

Compound Name4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline
PubChem CID139669166
Molecular FormulaC29H26F2N2O2
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline
SMILESNc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)c(F)c4)CCCC3)cc2F)cc1
InChIInChI=1S/C29H26F2N2O2/c30-25-17-19(3-13-27(25)34-23-9-5-21(32)6-10-23)29(15-1-2-16-29)20-4-14-28(26(31)18-20)35-24-11-7-22(33)8-12-24/h3-14,17-18H,1-2,15-16,32-33H2
InChIKeyFWYZYRZLNDSXPZ-UHFFFAOYSA-N
XLogP7.57
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
3-fluoro-4-(4-iodophenoxy)aniline
CID 43144708
4-[4-[1-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-tert-butylphenyl]cyclopentyl]-2-tert-butylphenoxy]-3-(trifluoromethyl)aniline
CID 139899829
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-fluoroaniline
CID 57107456
3,6-bis(4-aminophenoxy)benzene-1,2-diamine
CID 158381667
4-(2-bromo-4,5-difluorophenoxy)aniline
CID 86811267
3-fluoro-4-(4-methylsulfonylphenoxy)aniline
CID 43806836
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
4-[4-[1-[4-(4-aminophenoxy)-3-(trifluoromethyl)phenyl]-4-(4-octylphenyl)cyclohexyl]-2-(trifluoromethyl)phenoxy]aniline
CID 19927208
4-[2-[1-[2-(4-aminophenoxy)-3,5-dimethylphenyl]cyclopentyl]-4,6-dimethylphenoxy]aniline
CID 139673064
4-[3-(4-aminophenoxy)-4-[2,4-bis(4-aminophenoxy)phenoxy]phenoxy]aniline
CID 160580543
4-(5-bromo-2,3-difluorophenoxy)aniline
CID 107097389

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline?
The IUPAC name of 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline (CID 139669166) is 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline.
What is the SMILES notation for 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline?
The canonical SMILES for 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline is Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5)c(F)c4)CCCC3)cc2F)cc1.
What is the InChIKey of 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline?
The InChIKey is FWYZYRZLNDSXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N2O2/c30-25-17-19(3-13-27(25)34-23-9-5-21(32)6-10-23)29(15-1-2-16-29)20-4-14-28(26(31)18-20)35-24-11-7-22(33)8-12-24/h3-14,17-18H,1-2,15-16,32-33H2.
What are the key properties of 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline?
4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline has a molecular weight of 472.54 g/mol, XLogP of 7.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(4-aminophenoxy)-3-fluorophenyl]cyclopentyl]-2-fluorophenoxy]aniline is sourced from PubChem (CID 139669166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).