2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol

C12H21NO3 — CID 61246872

IUPAC2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC(O)c1ccco1
InChIInChI=1S/C12H21NO3/c1-9(2)6-10(8-14)13-7-11(15)12-4-3-5-16-12/h3-5,9-11,13-15H,6-8H2,1-2H3
InChIKeyIFAQIQWITFPDHQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.31
Rot. Bonds7

About 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol

2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol (PubChem CID 61246872) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
PubChem CID61246872
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NCC(O)c1ccco1
InChIInChI=1S/C12H21NO3/c1-9(2)6-10(8-14)13-7-11(15)12-4-3-5-16-12/h3-5,9-11,13-15H,6-8H2,1-2H3
InChIKeyIFAQIQWITFPDHQ-UHFFFAOYSA-N
XLogP1.31
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol with MolForge

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Related Compounds

2-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4-methylpentan-1-ol
CID 61245995
1-(furan-2-yl)-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 110888235
furan;1-(furan-2-yl)-3-methylbutan-1-ol
CID 23208167
2-[1-(3,4-dimethylphenyl)ethylamino]-1-(furan-2-yl)ethanol
CID 75382531
(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
4-methyl-2-(2-phenylpropylamino)pentan-1-ol
CID 61246256
2-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-4-methylpentan-1-ol
CID 61247016
2-[[(1R)-1-cyclohexylethyl]amino]-1-(furan-2-yl)ethanol
CID 81384880
(1S)-2-[[(1S)-1-[4-(difluoromethylsulfanyl)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97229548
1-(furan-2-yl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethanol
CID 81360536
(1S)-2-[[(1R)-1-[2-(dimethylamino)phenyl]ethyl]amino]-1-(furan-2-yl)ethanol
CID 97160729
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol (CID 61246872) is 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol is CC(C)CC(CO)NCC(O)c1ccco1.
What is the InChIKey of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol?
The InChIKey is IFAQIQWITFPDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(2)6-10(8-14)13-7-11(15)12-4-3-5-16-12/h3-5,9-11,13-15H,6-8H2,1-2H3.
What are the key properties of 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol?
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol has a molecular weight of 227.30 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 61246872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).