1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol

C12H21NO2 — CID 115719475

IUPAC1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC(C)c1ccco1
InChIInChI=1S/C12H21NO2/c1-4-7-12(3,14)9-13-10(2)11-6-5-8-15-11/h5-6,8,10,13-14H,4,7,9H2,1-3H3
InChIKeyVWVHCISXXMSRSB-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.48
Rot. Bonds6

About 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol

1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol (PubChem CID 115719475) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
PubChem CID115719475
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Name1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC(C)c1ccco1
InChIInChI=1S/C12H21NO2/c1-4-7-12(3,14)9-13-10(2)11-6-5-8-15-11/h5-6,8,10,13-14H,4,7,9H2,1-3H3
InChIKeyVWVHCISXXMSRSB-UHFFFAOYSA-N
XLogP2.48
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethylamino]-2-methylpropan-2-ol
CID 60885068
3-[1-(furan-2-yl)ethylamino]-2,2-dimethylpropan-1-ol
CID 81414268
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2,2-dimethylpropan-1-ol
CID 81411975
3-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 104644855
N-[1-(furan-2-yl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 54886572
methyl 5-[1-[(2-hydroxy-2-methylpentyl)amino]ethyl]furan-2-carboxylate
CID 106294446
2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 113246998
1-(benzhydrylamino)-2-methylpentan-2-ol
CID 103948284
N-[(1S)-1-(furan-2-yl)ethyl]-2-methylpentan-1-amine
CID 81403881
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
N-[(1R)-1-(furan-2-yl)ethyl]-2-methylidenebutan-1-amine
CID 81400648

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol (CID 115719475) is 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNC(C)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol?
The InChIKey is VWVHCISXXMSRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-7-12(3,14)9-13-10(2)11-6-5-8-15-11/h5-6,8,10,13-14H,4,7,9H2,1-3H3.
What are the key properties of 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol?
1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)ethylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 115719475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).