[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride

C15H15ClFNO2 — CID 172650769

IUPAC[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccc3c(c2)OCCO3)cc1F
InChIInChI=1S/C15H14FNO2.ClH/c16-13-7-10(1-2-12(13)9-17)11-3-4-14-15(8-11)19-6-5-18-14;/h1-4,7-8H,5-6,9,17H2;1H
InChIKeyDUONQBOOIGDESO-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.14
Rot. Bonds2

About [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride (PubChem CID 172650769) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
PubChem CID172650769
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(-c2ccc3c(c2)OCCO3)cc1F
InChIInChI=1S/C15H14FNO2.ClH/c16-13-7-10(1-2-12(13)9-17)11-3-4-14-15(8-11)19-6-5-18-14;/h1-4,7-8H,5-6,9,17H2;1H
InChIKeyDUONQBOOIGDESO-UHFFFAOYSA-N
XLogP3.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylphenyl]methanamine;hydrochloride
CID 172650755
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxyphenyl]methanamine;hydrochloride
CID 172650776
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
4-[4-(aminomethyl)-3-fluorophenyl]phenol
CID 71100471
[5-[3-(aminomethyl)-4-(1,3-benzodioxol-5-yl)phenyl]-2-(1,3-benzodioxol-5-yl)phenyl]methanamine
CID 154597141
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrrol-2-yl]methanamine
CID 117001487
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-3-yl]methanamine
CID 28808405
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-fluoroaniline
CID 107602794
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,4-diamine;hydrochloride
CID 171207035

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride?
The IUPAC name of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride (CID 172650769) is [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride?
The canonical SMILES for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride is Cl.NCc1ccc(-c2ccc3c(c2)OCCO3)cc1F.
What is the InChIKey of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride?
The InChIKey is DUONQBOOIGDESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2.ClH/c16-13-7-10(1-2-12(13)9-17)11-3-4-14-15(8-11)19-6-5-18-14;/h1-4,7-8H,5-6,9,17H2;1H.
What are the key properties of [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride?
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride has a molecular weight of 295.74 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-fluorophenyl]methanamine;hydrochloride is sourced from PubChem (CID 172650769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).