1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine

C13H13NO3 — CID 43583250

IUPAC1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
SMILESc1coc(CNCc2cccc3c2OCO3)c1
InChIInChI=1S/C13H13NO3/c1-3-10(13-12(5-1)16-9-17-13)7-14-8-11-4-2-6-15-11/h1-6,14H,7-9H2
InChIKeyGFNXFIBZENLNQI-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.30
Rot. Bonds4

About 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine

1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine (PubChem CID 43583250) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
PubChem CID43583250
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine
SMILESc1coc(CNCc2cccc3c2OCO3)c1
InChIInChI=1S/C13H13NO3/c1-3-10(13-12(5-1)16-9-17-13)7-14-8-11-4-2-6-15-11/h1-6,14H,7-9H2
InChIKeyGFNXFIBZENLNQI-UHFFFAOYSA-N
XLogP2.30
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-1-(furan-3-yl)methanamine
CID 60980403
N'-(1,3-benzodioxol-4-ylmethyl)ethane-1,2-diamine
CID 60888930
N-(furan-2-ylmethyl)-1-naphthalen-1-ylmethanamine
CID 1090542
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
2-(1,3-benzodioxol-4-ylmethylamino)-2-(furan-2-yl)ethanol
CID 111470467
methyl 5-[(1,3-benzodioxol-4-ylmethylamino)methyl]furan-2-carboxylate
CID 61212838
1-(1,3-benzodioxol-4-yl)-N-[(2-bromo-4-fluorophenyl)methyl]methanamine
CID 61210593
1-(1,3-benzodioxol-4-yl)-N-[(2-bromo-4-methylphenyl)methyl]methanamine
CID 115556709
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclopentan-1-amine
CID 115281056
N-(1,3-benzodioxol-4-ylmethyl)-3-methylbut-3-en-1-amine
CID 114472123
1-(1,3-benzodioxol-4-yl)-N-(2,3-dihydro-1H-indol-7-ylmethyl)methanamine
CID 80648411
1-(1,3-benzodioxol-4-yl)-N-[(5-bromo-2-chlorophenyl)methyl]methanamine
CID 103792717

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine (CID 43583250) is 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine is c1coc(CNCc2cccc3c2OCO3)c1.
What is the InChIKey of 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine?
The InChIKey is GFNXFIBZENLNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-10(13-12(5-1)16-9-17-13)7-14-8-11-4-2-6-15-11/h1-6,14H,7-9H2.
What are the key properties of 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine?
1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine has a molecular weight of 231.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-4-yl)-N-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 43583250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).