N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine

C17H25NO2 — CID 125276632

IUPACN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc2occ(CCN(C(C)C)C(C)C)c2c1
InChIInChI=1S/C17H25NO2/c1-12(2)18(13(3)4)9-8-14-11-20-17-7-6-15(19-5)10-16(14)17/h6-7,10-13H,8-9H2,1-5H3
InChIKeyNBFMSQBTYHYVKP-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.10
Rot. Bonds6

About N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine

N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 125276632) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID125276632
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
SMILESCOc1ccc2occ(CCN(C(C)C)C(C)C)c2c1
InChIInChI=1S/C17H25NO2/c1-12(2)18(13(3)4)9-8-14-11-20-17-7-6-15(19-5)10-16(14)17/h6-7,10-13H,8-9H2,1-5H3
InChIKeyNBFMSQBTYHYVKP-UHFFFAOYSA-N
XLogP4.10
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine (CID 125276632) is N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine is COc1ccc2occ(CCN(C(C)C)C(C)C)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is NBFMSQBTYHYVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)18(13(3)4)9-8-14-11-20-17-7-6-15(19-5)10-16(14)17/h6-7,10-13H,8-9H2,1-5H3.
What are the key properties of N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 275.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1-benzofuran-3-yl)ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 125276632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).