4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol

C12H21NO2 — CID 64913851

IUPAC4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
SMILESCc1cc(C(C)NCCC(C)O)c(C)o1
InChIInChI=1S/C12H21NO2/c1-8(14)5-6-13-10(3)12-7-9(2)15-11(12)4/h7-8,10,13-14H,5-6H2,1-4H3
InChIKeyRZGYJIVMHKKGLQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.32
Rot. Bonds5

About 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol (PubChem CID 64913851) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
PubChem CID64913851
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol
SMILESCc1cc(C(C)NCCC(C)O)c(C)o1
InChIInChI=1S/C12H21NO2/c1-8(14)5-6-13-10(3)12-7-9(2)15-11(12)4/h7-8,10,13-14H,5-6H2,1-4H3
InChIKeyRZGYJIVMHKKGLQ-UHFFFAOYSA-N
XLogP2.32
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanamide
CID 60864839
1-(2,5-dimethylfuran-3-yl)-N-(2-methylsulfanylethyl)ethanamine
CID 63981125
3-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N'-hydroxypropanimidamide
CID 77031154
5-[1-(2,5-dimethylfuran-3-yl)ethylamino]pentanoic acid
CID 103246101
methyl 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butanoate
CID 54920642
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 43121203
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-phenylpropan-1-amine
CID 43121361
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
4-[(2,5-dimethylfuran-3-yl)methylamino]butan-2-ol
CID 115876404
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-phenylbutan-1-amine
CID 114333297
1-(2,5-dimethylfuran-3-yl)-N-(2-prop-2-ynylsulfanylethyl)ethanamine
CID 107093826
2-[1-(2,5-dimethylfuran-3-yl)ethylamino]propane-1,3-diol
CID 65312937

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol?
The IUPAC name of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol (CID 64913851) is 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol?
The canonical SMILES for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol is Cc1cc(C(C)NCCC(C)O)c(C)o1.
What is the InChIKey of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol?
The InChIKey is RZGYJIVMHKKGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(14)5-6-13-10(3)12-7-9(2)15-11(12)4/h7-8,10,13-14H,5-6H2,1-4H3.
What are the key properties of 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol?
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol has a molecular weight of 211.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 64913851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).