N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine

C11H19NO2 — CID 115894684

IUPACN-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NC(C)c1ccoc1
InChIInChI=1S/C11H19NO2/c1-8(10(3)13-4)12-9(2)11-5-6-14-7-11/h5-10,12H,1-4H3
InChIKeyHAVZFGDKQOGZBN-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.35
Rot. Bonds5

About N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine

N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115894684) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine
PubChem CID115894684
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NC(C)c1ccoc1
InChIInChI=1S/C11H19NO2/c1-8(10(3)13-4)12-9(2)11-5-6-14-7-11/h5-10,12H,1-4H3
InChIKeyHAVZFGDKQOGZBN-UHFFFAOYSA-N
XLogP2.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine (CID 115894684) is N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine is COC(C)C(C)NC(C)c1ccoc1.
What is the InChIKey of N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is HAVZFGDKQOGZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(10(3)13-4)12-9(2)11-5-6-14-7-11/h5-10,12H,1-4H3.
What are the key properties of N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine?
N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115894684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).