(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine

C15H17NO3 — CID 28643569

IUPAC(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
SMILESC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C15H17NO3/c1-11(13-3-2-6-17-13)16-10-12-4-5-14-15(9-12)19-8-7-18-14/h2-6,9,11,16H,7-8,10H2,1H3/t11-/m1/s1
InChIKeyUWDMZSZJVZOBED-LLVKDONJSA-N
MW259.30 g/mol
LogP2.90
Rot. Bonds4

About (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine

(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine (PubChem CID 28643569) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
PubChem CID28643569
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine
SMILESC[C@@H](NCc1ccc2c(c1)OCCO2)c1ccco1
InChIInChI=1S/C15H17NO3/c1-11(13-3-2-6-17-13)16-10-12-4-5-14-15(9-12)19-8-7-18-14/h2-6,9,11,16H,7-8,10H2,1H3/t11-/m1/s1
InChIKeyUWDMZSZJVZOBED-LLVKDONJSA-N
XLogP2.90
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-[(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81403651
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917883
(1S)-N-[(3,4-dichlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403339
(1S)-N-[(3-chloro-4-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 106816999
N-[(3,4-dibromophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 115692983
(1S)-N-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81402685
(1S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methyl-1-phenylpropan-1-amine
CID 51924253
(1R)-N-[(4-bromo-3-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 114076601
(1S)-1-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 28643531
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 62633572
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
[3-[[1-(furan-2-yl)ethylamino]methyl]phenyl]methanol
CID 103781809

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine?
The IUPAC name of (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine (CID 28643569) is (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine is C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccco1.
What is the InChIKey of (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine?
The InChIKey is UWDMZSZJVZOBED-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(13-3-2-6-17-13)16-10-12-4-5-14-15(9-12)19-8-7-18-14/h2-6,9,11,16H,7-8,10H2,1H3/t11-/m1/s1.
What are the key properties of (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine?
(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 28643569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).