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

C15H15NO2 — CID 15193417

IUPAC2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1COc2ccccc2O1
InChIInChI=1S/C15H15NO2/c16-15(11-6-2-1-3-7-11)14-10-17-12-8-4-5-9-13(12)18-14/h1-9,14-15H,10,16H2
InChIKeyQWCDWPWWMQHXNP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.53
Rot. Bonds2

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

2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine (PubChem CID 15193417) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine
PubChem CID15193417
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine
SMILESNC(c1ccccc1)C1COc2ccccc2O1
InChIInChI=1S/C15H15NO2/c16-15(11-6-2-1-3-7-11)14-10-17-12-8-4-5-9-13(12)18-14/h1-9,14-15H,10,16H2
InChIKeyQWCDWPWWMQHXNP-UHFFFAOYSA-N
XLogP2.53
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl-(1-methylpyrazol-4-yl)methanamine
CID 43124178
(3-bromo-4-methoxyphenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 43131074
2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylphenyl)methanamine
CID 43198601
(4-chlorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-4-yl)methanamine
CID 82527480
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
2,3-dihydro-1,4-benzodioxin-3-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65352451
(1R)-2-amino-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethanol
CID 22819017
(5-chloro-4-methylthiophen-2-yl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 102763380
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,4,4-trifluorobutan-1-amine
CID 65352554
2,3-dihydro-1,4-benzodioxin-3-yl-(3,5-dimethylcyclohexyl)methanamine
CID 65352908
1-(2,3-dihydro-1,4-benzodioxin-3-yl)pent-4-yn-1-amine
CID 65352505
2,3-dihydro-1,4-benzodioxin-3-yl-(2-methoxy-5-methylphenyl)methanamine
CID 43626167

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine (CID 15193417) is 2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine is NC(c1ccccc1)C1COc2ccccc2O1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine?
The InChIKey is QWCDWPWWMQHXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-15(11-6-2-1-3-7-11)14-10-17-12-8-4-5-9-13(12)18-14/h1-9,14-15H,10,16H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine?
2,3-dihydro-1,4-benzodioxin-3-yl(phenyl)methanamine has a molecular weight of 241.29 g/mol, XLogP of 2.53, 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(phenyl)methanamine is sourced from PubChem (CID 15193417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).