3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine

C13H18FNO2 — CID 170865915

IUPAC3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C13H18FNO2/c1-15(2)5-3-4-10-6-12(14)7-11-8-16-9-17-13(10)11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVQZMKEUEPRPWTN-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.19
Rot. Bonds4

About 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine

3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine (PubChem CID 170865915) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
PubChem CID170865915
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1cc(F)cc2c1OCOC2
InChIInChI=1S/C13H18FNO2/c1-15(2)5-3-4-10-6-12(14)7-11-8-16-9-17-13(10)11/h6-7H,3-5,8-9H2,1-2H3
InChIKeyVQZMKEUEPRPWTN-UHFFFAOYSA-N
XLogP2.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,1,3,3-tetramethylguanidine
CID 111069970
(6-fluoro-4H-1,3-benzodioxin-8-yl)methanol
CID 2779909
8-[2-[[butyl(methyl)sulfamoyl]amino]ethyl]-6-fluoro-4H-1,3-benzodioxine
CID 47062226
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2,2-dimethylpropanamide
CID 47180608
1-[3-[di(propan-2-yl)amino]propyl]-3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111691157
3-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496659
3-ethyl-2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-methyl-1-pent-4-enylguanidine
CID 109497704
2-[3-(dimethylamino)propyl]-4,6-difluorophenol
CID 170865567
methyl 2-amino-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)propanoate
CID 170883507
6-fluoro-N-methyl-4H-1,3-benzodioxin-8-amine;hydrochloride
CID 67416939
3-ethyl-2-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-1-hept-6-enyl-1-methylguanidine
CID 109483733
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-5-methylthiophene-2-sulfonamide
CID 55873109

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine (CID 170865915) is 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1cc(F)cc2c1OCOC2.
What is the InChIKey of 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is VQZMKEUEPRPWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-15(2)5-3-4-10-6-12(14)7-11-8-16-9-17-13(10)11/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine?
3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 239.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 170865915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).