(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol

C17H23NO2 — CID 8639149

IUPAC(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
SMILESCC[C@@H](C)NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1
InChIInChI=1S/C17H23NO2/c1-4-12(2)18-11-16-9-10-17(20-16)15-7-5-14(6-8-15)13(3)19/h5-10,12-13,18-19H,4,11H2,1-3H3/t12-,13-/m1/s1
InChIKeyJKUGUMRUYXRVFE-CHWSQXEVSA-N
MW273.38 g/mol
LogP3.89
Rot. Bonds6

About (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol

(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol (PubChem CID 8639149) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
PubChem CID8639149
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
SMILESCC[C@@H](C)NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1
InChIInChI=1S/C17H23NO2/c1-4-12(2)18-11-16-9-10-17(20-16)15-7-5-14(6-8-15)13(3)19/h5-10,12-13,18-19H,4,11H2,1-3H3/t12-,13-/m1/s1
InChIKeyJKUGUMRUYXRVFE-CHWSQXEVSA-N
XLogP3.89
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol with MolForge

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Related Compounds

4-Tert-butyl-N-(2-furylmethyl)benzamide
CID 674888
Furfurylamine, alpha-benzyl-N-ethyl-
CID 52652
Furfurylamphetamine
CID 18116
Furan-2-carboxamide deriv., 17
CID 44236903
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
(1-Hydroxy-2-methylpropan-2-yl)-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azanium
CID 41493323
[2-(Furan-2-ylmethylamino)-2-oxoethyl] 4-tert-butylbenzoate
CID 2715190
N~1~-{3-[(2-Furylmethyl)amino]-3-oxopropyl}-4-methylbenzamide
CID 2978176
N-(1,2-Diphenylethyl)-2-furanmethanamine
CID 3150631
5-(4-acetylphenyl)-N-cycloheptylfuran-2-carboxamide
CID 4879803
4-[[3-(Furan-2-carbonylamino)propanoylamino]methyl]benzoic acid
CID 9505774
3-[3-(Furan-2-carbonylamino)propanoylamino]-3-(4-methylphenyl)propanoic acid
CID 16322402

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol (CID 8639149) is (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol is CC[C@@H](C)NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1.
What is the InChIKey of (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is JKUGUMRUYXRVFE-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H23NO2/c1-4-12(2)18-11-16-9-10-17(20-16)15-7-5-14(6-8-15)13(3)19/h5-10,12-13,18-19H,4,11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol?
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol has a molecular weight of 273.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 8639149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).