N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine

C12H15NO3 — CID 63335644

IUPACN-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
SMILESc1cc(CNC2CCOC2)c2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c1-2-9(6-13-10-4-5-14-7-10)12-11(3-1)15-8-16-12/h1-3,10,13H,4-8H2
InChIKeyKALBWMHVAYVJOQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.29
Rot. Bonds3

About N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine

N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine (PubChem CID 63335644) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
PubChem CID63335644
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine
SMILESc1cc(CNC2CCOC2)c2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c1-2-9(6-13-10-4-5-14-7-10)12-11(3-1)15-8-16-12/h1-3,10,13H,4-8H2
InChIKeyKALBWMHVAYVJOQ-UHFFFAOYSA-N
XLogP1.29
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine 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

N-(1,3-benzodioxol-4-ylmethyl)oxan-3-amine
CID 63360334
N-(1,3-benzodioxol-4-ylmethyl)cyclopent-3-en-1-amine
CID 115696567
N-(1,3-benzodioxol-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 60958341
N-(1,3-benzodioxol-4-ylmethyl)-2,2-diethyloxan-4-amine
CID 82765208
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylcyclohexan-1-amine
CID 61212459
2-chloro-6-[(oxolan-3-ylamino)methyl]phenol
CID 112554992
N-(1,3-benzodioxol-4-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79357909
N-(1,3-benzodioxol-4-ylmethyl)-2-methylcyclohexan-1-amine
CID 43583510
N-(1,3-benzodioxol-4-ylmethyl)-1-[(2-methylphenyl)methyl]piperidin-4-amine
CID 56796579
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)cyclohexan-1-ol
CID 43583461
(3R)-N-[(1-methanidyl-2,3-dihydro-1H-indol-1-ium-4-yl)methyl]oxolan-3-amine
CID 166016911
N-(1,3-benzodioxol-4-ylmethyl)-2,6-dimethylpiperidin-1-amine
CID 83007219

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine (CID 63335644) is N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine is c1cc(CNC2CCOC2)c2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine?
The InChIKey is KALBWMHVAYVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-2-9(6-13-10-4-5-14-7-10)12-11(3-1)15-8-16-12/h1-3,10,13H,4-8H2.
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine?
N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine has a molecular weight of 221.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)oxolan-3-amine is sourced from PubChem (CID 63335644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).