1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine

C16H19NO3 — CID 43685007

IUPAC1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C16H19NO3/c1-10-4-6-14(20-10)12(3)17-11(2)13-5-7-15-16(8-13)19-9-18-15/h4-8,11-12,17H,9H2,1-3H3
InChIKeyNSPOISJUCWSAJN-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.73
Rot. Bonds4

About 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine

1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine (PubChem CID 43685007) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
PubChem CID43685007
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)NC(C)c2ccc3c(c2)OCO3)o1
InChIInChI=1S/C16H19NO3/c1-10-4-6-14(20-10)12(3)17-11(2)13-5-7-15-16(8-13)19-9-18-15/h4-8,11-12,17H,9H2,1-3H3
InChIKeyNSPOISJUCWSAJN-UHFFFAOYSA-N
XLogP3.73
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[1-(1,3-benzodioxol-5-yl)ethylamino]ethyl]phenol
CID 43689442
1-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2-methylphenyl)ethyl]ethanamine
CID 81355040
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 112831404
(1S)-1-(1,3-benzodioxol-5-yl)-N-chloroethanamine
CID 118697739
1-(1,3-benzodioxol-5-yl)-N-methylethanamine
CID 6424509
2-[1-(1,3-benzodioxol-5-yl)ethylamino]-3-methylbutan-1-ol
CID 79254425
2-[1-(1,3-benzodioxol-5-yl)ethylamino]propanamide
CID 43403044
N-[1-(1,3-benzodioxol-5-yl)ethyl]-4-methylaniline
CID 43196497
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-cyclopropylpropan-2-amine
CID 63990132
N-[1-(5-methylfuran-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193618
N-[1-(1,3-benzodioxol-5-yl)ethyl]cyclohexanamine
CID 43189952
N-[1-(1,3-benzodioxol-5-yl)ethyl]aniline
CID 42841562

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine (CID 43685007) is 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine is Cc1ccc(C(C)NC(C)c2ccc3c(c2)OCO3)o1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The InChIKey is NSPOISJUCWSAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-10-4-6-14(20-10)12(3)17-11(2)13-5-7-15-16(8-13)19-9-18-15/h4-8,11-12,17H,9H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
1-(1,3-benzodioxol-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine has a molecular weight of 273.33 g/mol, XLogP of 3.73, 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-5-yl)-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine is sourced from PubChem (CID 43685007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).