N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine

C14H19NO2 — CID 43490475

IUPACN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C14H19NO2/c1-2-15-14(10-3-4-10)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,14-15H,2-4,7-8H2,1H3
InChIKeyDXAKNEPJEZXNNQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.52
Rot. Bonds4

About N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine

N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine (PubChem CID 43490475) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
PubChem CID43490475
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
SMILESCCNC(c1ccc2c(c1)OCCO2)C1CC1
InChIInChI=1S/C14H19NO2/c1-2-15-14(10-3-4-10)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,14-15H,2-4,7-8H2,1H3
InChIKeyDXAKNEPJEZXNNQ-UHFFFAOYSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cycloheptyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine
CID 62587740
N-[cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ethanamine
CID 43489563
2-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-methoxyethanamine
CID 116722579
(2S)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-methylbutanamide
CID 94798479
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl(oxan-2-yl)methyl]ethanamine
CID 62215137
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001028
1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluoro-3-methylphenyl)methyl]methanamine
CID 119121939
(1R)-1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-methyl-3-pyridinyl)methyl]methanamine
CID 124694431
1-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111760
[cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105204466
6-[cyclopropyl(ethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 43492904

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine?
The IUPAC name of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine (CID 43490475) is N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine is CCNC(c1ccc2c(c1)OCCO2)C1CC1.
What is the InChIKey of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine?
The InChIKey is DXAKNEPJEZXNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-15-14(10-3-4-10)11-5-6-12-13(9-11)17-8-7-16-12/h5-6,9-10,14-15H,2-4,7-8H2,1H3.
What are the key properties of N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine?
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine has a molecular weight of 233.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]ethanamine is sourced from PubChem (CID 43490475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).