(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol

C17H23NO3 — CID 111970128

IUPAC(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
SMILESCC[C@@H](O)CN(Cc1ccccc1)CC(O)c1ccco1
InChIInChI=1S/C17H23NO3/c1-2-15(19)12-18(11-14-7-4-3-5-8-14)13-16(20)17-9-6-10-21-17/h3-10,15-16,19-20H,2,11-13H2,1H3/t15-,16?/m1/s1
InChIKeyCENASTBNAUMCTM-AAFJCEBUSA-N
MW289.38 g/mol
LogP2.59
Rot. Bonds8

About (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol

(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol (PubChem CID 111970128) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
PubChem CID111970128
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol
SMILESCC[C@@H](O)CN(Cc1ccccc1)CC(O)c1ccco1
InChIInChI=1S/C17H23NO3/c1-2-15(19)12-18(11-14-7-4-3-5-8-14)13-16(20)17-9-6-10-21-17/h3-10,15-16,19-20H,2,11-13H2,1H3/t15-,16?/m1/s1
InChIKeyCENASTBNAUMCTM-AAFJCEBUSA-N
XLogP2.59
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol with MolForge

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Related Compounds

(2R)-1-[benzyl-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]amino]-4-ethoxybutan-2-ol
CID 100668034
(1R)-2-[benzyl(pyridin-4-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 97082119
3-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]propanoic acid
CID 119152156
2-[benzyl(pyridin-3-ylmethyl)amino]-1-(furan-2-yl)ethanol
CID 71922947
1-[benzyl-(3-fluoro-2-hydroxypropyl)amino]-3-fluoropropan-2-ol
CID 18985341
(1S)-2-[benzyl-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]amino]-1-(furan-2-yl)ethanol
CID 97005148
1-[3-aminopropyl(benzyl)amino]butan-2-ol
CID 107367330
1-[benzyl-[(E)-but-2-enyl]amino]butan-2-ol
CID 13219301
2-[benzyl(3-morpholin-4-ylpropyl)amino]-1-(furan-2-yl)ethanol
CID 75377692
(Z)-N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-2,3-dimethylpent-2-enamide
CID 110025714
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
N-benzyl-5-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 111969853

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol?
The IUPAC name of (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol (CID 111970128) is (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol.
What is the SMILES notation for (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol?
The canonical SMILES for (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol is CC[C@@H](O)CN(Cc1ccccc1)CC(O)c1ccco1.
What is the InChIKey of (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol?
The InChIKey is CENASTBNAUMCTM-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-15(19)12-18(11-14-7-4-3-5-8-14)13-16(20)17-9-6-10-21-17/h3-10,15-16,19-20H,2,11-13H2,1H3/t15-,16?/m1/s1.
What are the key properties of (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol?
(2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[benzyl-[2-(furan-2-yl)-2-hydroxyethyl]amino]butan-2-ol is sourced from PubChem (CID 111970128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).