2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol

C13H23NO3 — CID 114210422

IUPAC2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
SMILESCOCCC(CO)NC(C)CCc1ccco1
InChIInChI=1S/C13H23NO3/c1-11(5-6-13-4-3-8-17-13)14-12(10-15)7-9-16-2/h3-4,8,11-12,14-15H,5-7,9-10H2,1-2H3
InChIKeyOHEQYKPVLPJEBH-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.59
Rot. Bonds9

About 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol

2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol (PubChem CID 114210422) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
PubChem CID114210422
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol
SMILESCOCCC(CO)NC(C)CCc1ccco1
InChIInChI=1S/C13H23NO3/c1-11(5-6-13-4-3-8-17-13)14-12(10-15)7-9-16-2/h3-4,8,11-12,14-15H,5-7,9-10H2,1-2H3
InChIKeyOHEQYKPVLPJEBH-UHFFFAOYSA-N
XLogP1.59
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(furan-2-yl)butan-2-ylamino]-3-phenylpropan-1-ol
CID 104926136
2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol
CID 106186826
4-(furan-2-yl)-N-(2-methoxyethoxy)butan-2-amine
CID 82714632
2-(2-methoxyethyl)furan
CID 19010334
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
2-amino-N-[4-(furan-2-yl)butan-2-yl]-5-methoxypentanamide
CID 81088081
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
2-[1-[4-(furan-2-yl)butan-2-ylamino]ethyl]phenol
CID 43205349
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol?
The IUPAC name of 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol (CID 114210422) is 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol is COCCC(CO)NC(C)CCc1ccco1.
What is the InChIKey of 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol?
The InChIKey is OHEQYKPVLPJEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-11(5-6-13-4-3-8-17-13)14-12(10-15)7-9-16-2/h3-4,8,11-12,14-15H,5-7,9-10H2,1-2H3.
What are the key properties of 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol?
2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-2-yl)butan-2-ylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 114210422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).