N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine

C18H25NO3 — CID 75427573

IUPACN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
SMILESCOc1cccc2cc(C(C)NC(C)C3CCOCC3)oc12
InChIInChI=1S/C18H25NO3/c1-12(14-7-9-21-10-8-14)19-13(2)17-11-15-5-4-6-16(20-3)18(15)22-17/h4-6,11-14,19H,7-10H2,1-3H3
InChIKeySJUDFDRNBYVODX-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.91
Rot. Bonds5

About N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine

N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine (PubChem CID 75427573) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
PubChem CID75427573
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC NameN-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine
SMILESCOc1cccc2cc(C(C)NC(C)C3CCOCC3)oc12
InChIInChI=1S/C18H25NO3/c1-12(14-7-9-21-10-8-14)19-13(2)17-11-15-5-4-6-16(20-3)18(15)22-17/h4-6,11-14,19H,7-10H2,1-3H3
InChIKeySJUDFDRNBYVODX-UHFFFAOYSA-N
XLogP3.91
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine (CID 75427573) is N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine is COc1cccc2cc(C(C)NC(C)C3CCOCC3)oc12.
What is the InChIKey of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is SJUDFDRNBYVODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12(14-7-9-21-10-8-14)19-13(2)17-11-15-5-4-6-16(20-3)18(15)22-17/h4-6,11-14,19H,7-10H2,1-3H3.
What are the key properties of N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine?
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 303.40 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 75427573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).