N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine

C14H19NO3 — CID 115335705

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-9(15-12-5-6-16-10(12)2)11-3-4-13-14(7-11)18-8-17-13/h3-4,7,9-10,12,15H,5-6,8H2,1-2H3
InChIKeyUBSCRJBEUIZFKU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.24
Rot. Bonds3

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine (PubChem CID 115335705) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine
PubChem CID115335705
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine
SMILESCC(NC1CCOC1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H19NO3/c1-9(15-12-5-6-16-10(12)2)11-3-4-13-14(7-11)18-8-17-13/h3-4,7,9-10,12,15H,5-6,8H2,1-2H3
InChIKeyUBSCRJBEUIZFKU-UHFFFAOYSA-N
XLogP2.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclopentanamine
CID 43190395
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
N-[1-(4-chlorophenyl)ethyl]-2-methyloxolan-3-amine
CID 115335540
N-[1-(4-iodophenyl)ethyl]-2-methyloxolan-3-amine
CID 82725741
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
1-(1,3-benzodioxol-5-yl)-N-(cyclobutylmethyl)ethanamine
CID 43298420
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132
1-N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexane-1,3-diamine
CID 79458936
3-[[1-(1,3-benzodioxol-5-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103271544
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-4-amine
CID 43689424
1-[4-[1-(1,3-benzodioxol-5-yl)ethylamino]piperidin-1-yl]ethanone
CID 43434024

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine (CID 115335705) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine is CC(NC1CCOC1C)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine?
The InChIKey is UBSCRJBEUIZFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(15-12-5-6-16-10(12)2)11-3-4-13-14(7-11)18-8-17-13/h3-4,7,9-10,12,15H,5-6,8H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine has a molecular weight of 249.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 115335705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).