acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine

C16H18N2O3 — CID 24746779

IUPACacetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine
SMILESCC(=O)O.NCC(c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O.C2H4O2/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13;1-2(3)4/h1-7,9,11,16H,8,15H2;1H3,(H,3,4)
InChIKeyVFVKIGUQIDGHEO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.94
Rot. Bonds3

About acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine

acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine (PubChem CID 24746779) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Nameacetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine
PubChem CID24746779
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Nameacetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine
SMILESCC(=O)O.NCC(c1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O.C2H4O2/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13;1-2(3)4/h1-7,9,11,16H,8,15H2;1H3,(H,3,4)
InChIKeyVFVKIGUQIDGHEO-UHFFFAOYSA-N
XLogP2.94
TPSA92.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine?
The IUPAC name of acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine (CID 24746779) is acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine.
What is the SMILES notation for acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine?
The canonical SMILES for acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine is CC(=O)O.NCC(c1ccco1)c1c[nH]c2ccccc12.
What is the InChIKey of acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine?
The InChIKey is VFVKIGUQIDGHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O.C2H4O2/c15-8-11(14-6-3-7-17-14)12-9-16-13-5-2-1-4-10(12)13;1-2(3)4/h1-7,9,11,16H,8,15H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine?
acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine has a molecular weight of 286.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(furan-2-yl)-2-(1H-indol-3-yl)ethanamine is sourced from PubChem (CID 24746779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).