N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine

C12H19NO3 — CID 81102675

IUPACN-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CCOCO2)o1
InChIInChI=1S/C12H19NO3/c1-9-3-4-12(16-9)10(2)13-7-11-5-6-14-8-15-11/h3-4,10-11,13H,5-8H2,1-2H3
InChIKeyICGRLMTVAFTZFX-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.00
Rot. Bonds4

About N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine

N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 81102675) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
PubChem CID81102675
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC NameN-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CCOCO2)o1
InChIInChI=1S/C12H19NO3/c1-9-3-4-12(16-9)10(2)13-7-11-5-6-14-8-15-11/h3-4,10-11,13H,5-8H2,1-2H3
InChIKeyICGRLMTVAFTZFX-UHFFFAOYSA-N
XLogP2.00
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-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

N-(1,3-dioxan-4-ylmethyl)-1-(4-fluorophenyl)ethanamine
CID 81102301
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
(1R)-1-(2-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81376970
1-(2,5-dimethylthiophen-3-yl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102302
N-(1,3-dioxan-4-ylmethyl)-1-(4-methylphenoxy)propan-2-amine
CID 81101195
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
1-(3-chlorophenyl)-N-(1,3-dioxan-4-ylmethyl)ethanamine
CID 81102298
4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106125036
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 116521281
N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
1-(5-methylfuran-2-yl)-N-[2-(oxan-2-yl)ethyl]ethanamine
CID 113364696
1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 106011037

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine (CID 81102675) is N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCC2CCOCO2)o1.
What is the InChIKey of N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is ICGRLMTVAFTZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-3-4-12(16-9)10(2)13-7-11-5-6-14-8-15-11/h3-4,10-11,13H,5-8H2,1-2H3.
What are the key properties of N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine?
N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 225.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 81102675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).