1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride

C16H22ClNO2 — CID 17156433

IUPAC1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
SMILESCC(C)NCc1ccc(-c2ccc(C(C)O)cc2)o1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-11(2)17-10-15-8-9-16(19-15)14-6-4-13(5-7-14)12(3)18;/h4-9,11-12,17-18H,10H2,1-3H3;1H
InChIKeyUEQVCVCASKUPTB-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.92
Rot. Bonds5

About 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride

1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride (PubChem CID 17156433) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
PubChem CID17156433
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
SMILESCC(C)NCc1ccc(-c2ccc(C(C)O)cc2)o1.Cl
InChIInChI=1S/C16H21NO2.ClH/c1-11(2)17-10-15-8-9-16(19-15)14-6-4-13(5-7-14)12(3)18;/h4-9,11-12,17-18H,10H2,1-3H3;1H
InChIKeyUEQVCVCASKUPTB-UHFFFAOYSA-N
XLogP3.92
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
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
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
CID 17210963
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639245
N-[[5-(4-butylphenyl)furan-2-yl]methyl]propan-2-amine
CID 43624940
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
cyclohexyl-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium
CID 7425297

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride?
The IUPAC name of 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride (CID 17156433) is 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride.
What is the SMILES notation for 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride?
The canonical SMILES for 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride is CC(C)NCc1ccc(-c2ccc(C(C)O)cc2)o1.Cl.
What is the InChIKey of 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride?
The InChIKey is UEQVCVCASKUPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2.ClH/c1-11(2)17-10-15-8-9-16(19-15)14-6-4-13(5-7-14)12(3)18;/h4-9,11-12,17-18H,10H2,1-3H3;1H.
What are the key properties of 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride?
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride has a molecular weight of 295.81 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride is sourced from PubChem (CID 17156433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).