N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine

C14H12FNO2 — CID 82536030

IUPACN-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESFc1cccc(Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C14H12FNO2/c15-10-2-1-3-11(8-10)16-12-4-5-13-14(9-12)18-7-6-17-13/h1-5,8-9,16H,6-7H2
InChIKeyXQMOJWJVTJIREF-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.34
Rot. Bonds2

About N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine

N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine (PubChem CID 82536030) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
PubChem CID82536030
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC NameN-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine
SMILESFc1cccc(Nc2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C14H12FNO2/c15-10-2-1-3-11(8-10)16-12-4-5-13-14(9-12)18-7-6-17-13/h1-5,8-9,16H,6-7H2
InChIKeyXQMOJWJVTJIREF-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzene-1,2-diamine
CID 60782998
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluoroanilino)ethanol
CID 61048704
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-fluorobenzamide
CID 26070603
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-fluoroaniline
CID 43194260
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
6-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridin-2-amine
CID 60727080
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110426408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzamide
CID 2810385
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)oxamide
CID 44997744
6-[chloro-(3-fluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 61084137
N-(2,4-difluorophenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carboxamide
CID 109200752

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The IUPAC name of N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine (CID 82536030) is N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The canonical SMILES for N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine is Fc1cccc(Nc2ccc3c(c2)OCCO3)c1.
What is the InChIKey of N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
The InChIKey is XQMOJWJVTJIREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c15-10-2-1-3-11(8-10)16-12-4-5-13-14(9-12)18-7-6-17-13/h1-5,8-9,16H,6-7H2.
What are the key properties of N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine?
N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine has a molecular weight of 245.25 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-6-amine is sourced from PubChem (CID 82536030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).