2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine

C15H14FNO2 — CID 105119551

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
SMILESNC(c1ccccc1F)c1cccc2c1OCCO2
InChIInChI=1S/C15H14FNO2/c16-12-6-2-1-4-10(12)14(17)11-5-3-7-13-15(11)19-9-8-18-13/h1-7,14H,8-9,17H2
InChIKeyMHOCNOGYZNVCAR-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.64
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine

2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine (PubChem CID 105119551) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
PubChem CID105119551
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine
SMILESNC(c1ccccc1F)c1cccc2c1OCCO2
InChIInChI=1S/C15H14FNO2/c16-12-6-2-1-4-10(12)14(17)11-5-3-7-13-15(11)19-9-8-18-13/h1-7,14H,8-9,17H2
InChIKeyMHOCNOGYZNVCAR-UHFFFAOYSA-N
XLogP2.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl-(4-fluoro-2-methylphenyl)methanamine
CID 105142758
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105175829
(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105141805
(4-chlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 105076308
(1R)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-fluoroethanamine
CID 130673960
(1S)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)prop-2-en-1-amine
CID 130684063
2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)acetic acid
CID 82395199
(2S)-2-amino-2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol;hydrochloride
CID 171213621
(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine;hydrochloride
CID 171213604
(3-chlorothiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 107361835
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)ethanamine
CID 68796634
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2,2,2-trifluoroethanamine
CID 165343472

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine (CID 105119551) is 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine is NC(c1ccccc1F)c1cccc2c1OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine?
The InChIKey is MHOCNOGYZNVCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-12-6-2-1-4-10(12)14(17)11-5-3-7-13-15(11)19-9-8-18-13/h1-7,14H,8-9,17H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine?
2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine has a molecular weight of 259.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl-(2-fluorophenyl)methanamine is sourced from PubChem (CID 105119551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).