N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine

C17H23NO — CID 81049953

IUPACN-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1coc2cc3c(cc12)CCCC3
InChIInChI=1S/C17H23NO/c1-12(2)18-8-7-15-11-19-17-10-14-6-4-3-5-13(14)9-16(15)17/h9-12,18H,3-8H2,1-2H3
InChIKeyUWFYFOOHTYRDCX-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.85
Rot. Bonds4

About N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine

N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine (PubChem CID 81049953) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine
PubChem CID81049953
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1coc2cc3c(cc12)CCCC3
InChIInChI=1S/C17H23NO/c1-12(2)18-8-7-15-11-19-17-10-14-6-4-3-5-13(14)9-16(15)17/h9-12,18H,3-8H2,1-2H3
InChIKeyUWFYFOOHTYRDCX-UHFFFAOYSA-N
XLogP3.85
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine (CID 81049953) is N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine is CC(C)NCCc1coc2cc3c(cc12)CCCC3.
What is the InChIKey of N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine?
The InChIKey is UWFYFOOHTYRDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12(2)18-8-7-15-11-19-17-10-14-6-4-3-5-13(14)9-16(15)17/h9-12,18H,3-8H2,1-2H3.
What are the key properties of N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine?
N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6,7,8-tetrahydrobenzo[f][1]benzofuran-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 81049953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).