(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

1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
N-[[5-(4-bromophenyl)furan-2-yl]methyl]butan-2-amine
CID 4723768
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
CID 17210963
(2R)-N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]butan-2-amine
CID 8637675
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]butan-2-amine;hydrochloride
CID 17056319
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543
(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639511
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639245
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329

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).