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

C17H19NO2 — CID 43198601

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H19NO2/c1-11-7-8-12(2)13(9-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-9,16-17H,10,18H2,1-2H3
InChIKeyXMRZJCOTLHHGKG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.14
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine (PubChem CID 43198601) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
PubChem CID43198601
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
SMILESCc1ccc(C)c(C(N)C2COc3ccccc3O2)c1
InChIInChI=1S/C17H19NO2/c1-11-7-8-12(2)13(9-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-9,16-17H,10,18H2,1-2H3
InChIKeyXMRZJCOTLHHGKG-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 ≤ 500269.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626167
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65352451
2,3-dihydro-1,4-benzoxathiin-2-yl-(2,5-dimethylphenyl)methanamine
CID 106601159
3,4-dihydro-2H-1,5-benzodioxepin-4-yl-(2,4-dimethylphenyl)methanamine
CID 82527484
3,4-dihydro-2H-chromen-3-yl-(2,5-dimethylphenyl)methanamine
CID 65411860
2,3-dihydro-1,4-benzodioxin-3-yl-(2-fluoro-5-methylphenyl)methanol
CID 65351033
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
[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105230157
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 65352448
2-[chloro-(2,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63434026
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine (CID 43198601) is 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine is Cc1ccc(C)c(C(N)C2COc3ccccc3O2)c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine?
The InChIKey is XMRZJCOTLHHGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-7-8-12(2)13(9-11)17(18)16-10-19-14-5-3-4-6-15(14)20-16/h3-9,16-17H,10,18H2,1-2H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine?
2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine has a molecular weight of 269.34 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 2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 43198601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).