3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol

C12H21NO3 — CID 106156673

IUPAC3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol
SMILESCCC(NC(CCO)COC)c1ccco1
InChIInChI=1S/C12H21NO3/c1-3-11(12-5-4-8-16-12)13-10(6-7-14)9-15-2/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3
InChIKeyTXYNDZHROGZHGO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.72
Rot. Bonds8

About 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol

3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol (PubChem CID 106156673) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol
PubChem CID106156673
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol
SMILESCCC(NC(CCO)COC)c1ccco1
InChIInChI=1S/C12H21NO3/c1-3-11(12-5-4-8-16-12)13-10(6-7-14)9-15-2/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3
InChIKeyTXYNDZHROGZHGO-UHFFFAOYSA-N
XLogP1.72
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2-furanyl)pyrrolidine
CID 4715419
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
2-(Furan-2-yl)pyrrolidine
CID 3675988
2-(Furan-2-yl)piperidine
CID 4715025
N-(2-furylmethyl)cyclohexanamine oxalate
CID 9549530
3-((Furan-2-ylmethyl)amino)-4-(2-methoxyethoxy)-4-oxobutanoic acid
CID 3259549
1-(furan-2-yl)-3-methyl-N-phenethylbut-3-en-1-amine hydrochloride
CID 2942979
Furfurylamine, alpha-benzyl-N-methyl-
CID 18548
2-(5-Methylfuran-2-yl)piperidine
CID 17389585
Furan-2-ylmethyl-(tetrahydro-furan-2-ylmethyl)-amine
CID 2772044
N-(furan-2-ylmethyl)cyclopentanamine
CID 1080489
[1-(Furan-2-yl)ethyl](methyl)amine
CID 3161863

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol (CID 106156673) is 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol is CCC(NC(CCO)COC)c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol?
The InChIKey is TXYNDZHROGZHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-3-11(12-5-4-8-16-12)13-10(6-7-14)9-15-2/h4-5,8,10-11,13-14H,3,6-7,9H2,1-2H3.
What are the key properties of 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol?
3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol has a molecular weight of 227.30 g/mol, XLogP of 1.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)propylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 106156673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).