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

C16H22ClNO3 — CID 17333543

IUPAC1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
SMILESCOCCNCc1ccc(-c2ccc(C(C)O)cc2)o1.Cl
InChIInChI=1S/C16H21NO3.ClH/c1-12(18)13-3-5-14(6-4-13)16-8-7-15(20-16)11-17-9-10-19-2;/h3-8,12,17-18H,9-11H2,1-2H3;1H
InChIKeyYXQDEYUXKQCKSC-UHFFFAOYSA-N
MW311.81 g/mol
LogP3.16
Rot. Bonds7

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

1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride (PubChem CID 17333543) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
PubChem CID17333543
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
SMILESCOCCNCc1ccc(-c2ccc(C(C)O)cc2)o1.Cl
InChIInChI=1S/C16H21NO3.ClH/c1-12(18)13-3-5-14(6-4-13)16-8-7-15(20-16)11-17-9-10-19-2;/h3-8,12,17-18H,9-11H2,1-2H3;1H
InChIKeyYXQDEYUXKQCKSC-UHFFFAOYSA-N
XLogP3.16
TPSA54.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
methyl 4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoate;dihydrochloride
CID 17332913
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639245
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725011
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329
2-chloro-5-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoic acid;hydrochloride
CID 132897703
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 8639224
1-[4-[5-[[2-(4-nitroanilino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4724984
2-chloro-5-[5-[(2-methoxyethylamino)methyl]furan-2-yl]benzoic acid
CID 51051706

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride?
The IUPAC name of 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride (CID 17333543) is 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride.
What is the SMILES notation for 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride?
The canonical SMILES for 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride is COCCNCc1ccc(-c2ccc(C(C)O)cc2)o1.Cl.
What is the InChIKey of 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride?
The InChIKey is YXQDEYUXKQCKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3.ClH/c1-12(18)13-3-5-14(6-4-13)16-8-7-15(20-16)11-17-9-10-19-2;/h3-8,12,17-18H,9-11H2,1-2H3;1H.
What are the key properties of 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride?
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride is sourced from PubChem (CID 17333543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).