[6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine

C15H14FNO2 — CID 12002135

IUPAC[6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine
SMILESCc1ccccc1-c1cc(F)cc2c1OC(CN)O2
InChIInChI=1S/C15H14FNO2/c1-9-4-2-3-5-11(9)12-6-10(16)7-13-15(12)19-14(8-17)18-13/h2-7,14H,8,17H2,1H3
InChIKeyFMSTUQPYPFBXQO-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.86
Rot. Bonds2

About [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine

[6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine (PubChem CID 12002135) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine.

Molecular Properties

Compound Name[6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine
PubChem CID12002135
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name[6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine
SMILESCc1ccccc1-c1cc(F)cc2c1OC(CN)O2
InChIInChI=1S/C15H14FNO2/c1-9-4-2-3-5-11(9)12-6-10(16)7-13-15(12)19-14(8-17)18-13/h2-7,14H,8,17H2,1H3
InChIKeyFMSTUQPYPFBXQO-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{2-[(2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]ethyl}amine hydrochloride
CID 16109477
3-Benzo[1,3]dioxol-5-yl-3-(2-methoxy-phenyl)-propylamine
CID 3137710
2-[2-[2-(1,3-Benzodioxol-4-yl)ethyl]phenyl]ethanamine
CID 129844568
4-(4-Methyl-1,3-benzodioxol-2-yl)butan-1-amine
CID 132276854
3-[2-(1,3-benzodioxol-5-yl)phenoxy]-N-methylpropan-1-amine
CID 56709808
[7-(2,3-Dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11381133
2-[(5-Fluoro-2,3-dihydro-1-benzofuran-7-yl)oxy]ethanamine
CID 11401340
[(3S)-5-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002086
[(3S)-6-fluoro-5-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 12002115
[6-Fluoro-4-(2-methoxyphenyl)-1,3-benzodioxol-2-yl]methanamine
CID 12002131
(6-Fluoro-4-phenyl-1,3-benzodioxol-2-yl)methanamine
CID 12002132
[4-(3-Chlorophenyl)-6-fluoro-1,3-benzodioxol-2-yl]methanamine
CID 12002133

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine?
The IUPAC name of [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine (CID 12002135) is [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine.
What is the SMILES notation for [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine?
The canonical SMILES for [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine is Cc1ccccc1-c1cc(F)cc2c1OC(CN)O2.
What is the InChIKey of [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine?
The InChIKey is FMSTUQPYPFBXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-9-4-2-3-5-11(9)12-6-10(16)7-13-15(12)19-14(8-17)18-13/h2-7,14H,8,17H2,1H3.
What are the key properties of [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine?
[6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine has a molecular weight of 259.28 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-4-(2-methylphenyl)-1,3-benzodioxol-2-yl]methanamine is sourced from PubChem (CID 12002135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).