1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine

C15H20N2O3 — CID 159683167

IUPAC1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine
SMILESCNCc1ccc2c(c1)OCO2.CNCc1ccco1
InChIInChI=1S/C9H11NO2.C6H9NO/c1-10-5-7-2-3-8-9(4-7)12-6-11-8;1-7-5-6-3-2-4-8-6/h2-4,10H,5-6H2,1H3;2-4,7H,5H2,1H3
InChIKeyMVLMJAAFAUEOBN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.13
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine

1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine (PubChem CID 159683167) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine
PubChem CID159683167
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine
SMILESCNCc1ccc2c(c1)OCO2.CNCc1ccco1
InChIInChI=1S/C9H11NO2.C6H9NO/c1-10-5-7-2-3-8-9(4-7)12-6-11-8;1-7-5-6-3-2-4-8-6/h2-4,10H,5-6H2,1H3;2-4,7H,5H2,1H3
InChIKeyMVLMJAAFAUEOBN-UHFFFAOYSA-N
XLogP2.13
TPSA55.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018590
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2S)-4-(furan-2-yl)butan-2-yl]thiourea
CID 9234168
3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(furan-2-yl)ethanamine
CID 43395343
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367935
1,2-bis(1,3-benzodioxol-5-ylmethyl)hydrazine;hydrochloride
CID 54605734
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
1-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(furan-2-ylmethyl)urea
CID 42724338
2-[[N'-(1,3-benzodioxol-5-ylmethyl)-N-ethylcarbamimidoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 111843523
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 94282177
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(2S)-1-(furan-2-yl)propan-2-yl]urea
CID 35684633

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine (CID 159683167) is 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine is CNCc1ccc2c(c1)OCO2.CNCc1ccco1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine?
The InChIKey is MVLMJAAFAUEOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C6H9NO/c1-10-5-7-2-3-8-9(4-7)12-6-11-8;1-7-5-6-3-2-4-8-6/h2-4,10H,5-6H2,1H3;2-4,7H,5H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine?
1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine has a molecular weight of 276.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-methylmethanamine;1-(furan-2-yl)-N-methylmethanamine is sourced from PubChem (CID 159683167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).