1-(furan-2-yl)-4-methoxybutan-2-amine

C9H15NO2 — CID 75480596

IUPAC1-(furan-2-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1ccco1
InChIInChI=1S/C9H15NO2/c1-11-6-4-8(10)7-9-3-2-5-12-9/h2-3,5,8H,4,6-7,10H2,1H3
InChIKeyDUBKZSACBDUVPN-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.19
Rot. Bonds5

About 1-(furan-2-yl)-4-methoxybutan-2-amine

1-(furan-2-yl)-4-methoxybutan-2-amine (PubChem CID 75480596) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(furan-2-yl)-4-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-4-methoxybutan-2-amine
PubChem CID75480596
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(furan-2-yl)-4-methoxybutan-2-amine
SMILESCOCCC(N)Cc1ccco1
InChIInChI=1S/C9H15NO2/c1-11-6-4-8(10)7-9-3-2-5-12-9/h2-3,5,8H,4,6-7,10H2,1H3
InChIKeyDUBKZSACBDUVPN-UHFFFAOYSA-N
XLogP1.19
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-4-methoxybutan-2-amine?
The IUPAC name of 1-(furan-2-yl)-4-methoxybutan-2-amine (CID 75480596) is 1-(furan-2-yl)-4-methoxybutan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-4-methoxybutan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-4-methoxybutan-2-amine is COCCC(N)Cc1ccco1.
What is the InChIKey of 1-(furan-2-yl)-4-methoxybutan-2-amine?
The InChIKey is DUBKZSACBDUVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-6-4-8(10)7-9-3-2-5-12-9/h2-3,5,8H,4,6-7,10H2,1H3.
What are the key properties of 1-(furan-2-yl)-4-methoxybutan-2-amine?
1-(furan-2-yl)-4-methoxybutan-2-amine has a molecular weight of 169.22 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-4-methoxybutan-2-amine is sourced from PubChem (CID 75480596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).