1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine

C15H23NO3 — CID 43184290

IUPAC1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine
SMILESCC(C)CC(C)OCC(N)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-10(2)6-11(3)17-8-13(16)12-4-5-14-15(7-12)19-9-18-14/h4-5,7,10-11,13H,6,8-9,16H2,1-3H3
InChIKeyDLBSMRCIBVXHSL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.87
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine

1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine (PubChem CID 43184290) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine
PubChem CID43184290
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine
SMILESCC(C)CC(C)OCC(N)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H23NO3/c1-10(2)6-11(3)17-8-13(16)12-4-5-14-15(7-12)19-9-18-14/h4-5,7,10-11,13H,6,8-9,16H2,1-3H3
InChIKeyDLBSMRCIBVXHSL-UHFFFAOYSA-N
XLogP2.87
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)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

1-(1,3-benzodioxol-5-yl)-3-methylbutan-1-amine
CID 82048703
1-(1,3-benzodioxol-5-yl)-2-(3-methylbutoxy)ethanamine
CID 43184014
[3-amino-3-(1,3-benzodioxol-5-yl)propanoyl] 2-amino-4-methylpentaneperoxoate
CID 139899877
1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine
CID 16796104
2-(4-methylpentan-2-yloxy)-1-naphthalen-2-ylethanamine
CID 43105278
1-(1,3-benzodioxol-5-yl)-2-(2-ethylphenoxy)ethanamine
CID 43364260
(1S)-1-(1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 55278725
1-(1,3-benzodioxol-5-yl)-2-(2-methylphenoxy)ethanamine
CID 16789877
1-(1,3-benzodioxol-5-yl)-2-tert-butylsulfinylethanamine
CID 64653579
1-(1,3-benzodioxol-5-yl)-2-(3-methylbutan-2-ylsulfinyl)ethanamine
CID 107759555
2-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]sulfanylpropan-1-ol
CID 113374038
(2R)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylpentanamide
CID 104902772

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine (CID 43184290) is 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine is CC(C)CC(C)OCC(N)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine?
The InChIKey is DLBSMRCIBVXHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(2)6-11(3)17-8-13(16)12-4-5-14-15(7-12)19-9-18-14/h4-5,7,10-11,13H,6,8-9,16H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine?
1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(4-methylpentan-2-yloxy)ethanamine is sourced from PubChem (CID 43184290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).