N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline

C15H14FNO2 — CID 43583494

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCc2cccc3c2OCCO3)cc1
InChIInChI=1S/C15H14FNO2/c16-12-4-6-13(7-5-12)17-10-11-2-1-3-14-15(11)19-9-8-18-14/h1-7,17H,8-10H2
InChIKeyCARCUYFZIXIAGY-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.21
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline (PubChem CID 43583494) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
PubChem CID43583494
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
SMILESFc1ccc(NCc2cccc3c2OCCO3)cc1
InChIInChI=1S/C15H14FNO2/c16-12-4-6-13(7-5-12)17-10-11-2-1-3-14-15(11)19-9-8-18-14/h1-7,17H,8-10H2
InChIKeyCARCUYFZIXIAGY-UHFFFAOYSA-N
XLogP3.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-6-fluoropyridin-3-amine
CID 103825808
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583856
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-5-fluoroaniline
CID 107632697
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583790
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2,3,4-trifluoroaniline
CID 43583395
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,5-difluoroaniline
CID 43583399
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoro-2-methoxyaniline
CID 61036848
5-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-1-methylpyridin-2-one
CID 60931412
N-(1,3-benzodioxol-4-ylmethyl)-4-iodoaniline
CID 43583834
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-methylpyrazol-4-amine
CID 43583958
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3,4-dimethylaniline
CID 43583469
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)-3-(4-fluorophenoxy)propan-2-ol
CID 95582652

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline (CID 43583494) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline is Fc1ccc(NCc2cccc3c2OCCO3)cc1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline?
The InChIKey is CARCUYFZIXIAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-12-4-6-13(7-5-12)17-10-11-2-1-3-14-15(11)19-9-8-18-14/h1-7,17H,8-10H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline has a molecular weight of 259.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline is sourced from PubChem (CID 43583494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).