2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine

C16H16FNO2 — CID 65352451

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1COc2ccccc2O1
InChIInChI=1S/C16H16FNO2/c1-10-8-11(17)6-7-12(10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-8,15-16H,9,18H2,1H3
InChIKeyGXLLNFVBUVXDST-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.97
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine

2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine (PubChem CID 65352451) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine
PubChem CID65352451
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine
SMILESCc1cc(F)ccc1C(N)C1COc2ccccc2O1
InChIInChI=1S/C16H16FNO2/c1-10-8-11(17)6-7-12(10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-8,15-16H,9,18H2,1H3
InChIKeyGXLLNFVBUVXDST-UHFFFAOYSA-N
XLogP2.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
CID 43198601
[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105230157
3,4-dihydro-2H-1,5-benzodioxepin-4-yl-(2,4-dimethylphenyl)methanamine
CID 82527484
2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626167
2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine
CID 15193417
(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 102763380
cyclopentyl-(4-fluoro-2-methylphenyl)methanamine
CID 62790372
2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128510
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanol
CID 65351033
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 65352448
6-bicyclo[3.1.0]hexanyl-(4-fluoro-2-methylphenyl)methanamine
CID 115852356
3-[bromo-(2,4,6-trifluorophenyl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 63438642

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine (CID 65352451) is 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine is Cc1cc(F)ccc1C(N)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine?
The InChIKey is GXLLNFVBUVXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-10-8-11(17)6-7-12(10)16(18)15-9-19-13-4-2-3-5-14(13)20-15/h2-8,15-16H,9,18H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine?
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine has a molecular weight of 273.31 g/mol, XLogP of 2.97, 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-3-yl-(4-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 65352451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).