1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride

C19H28Cl2N2O3 — CID 17333534

IUPAC1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
SMILESCC(O)c1ccc(-c2ccc(CNCCN3CCOCC3)o2)cc1.Cl.Cl
InChIInChI=1S/C19H26N2O3.2ClH/c1-15(22)16-2-4-17(5-3-16)19-7-6-18(24-19)14-20-8-9-21-10-12-23-13-11-21;;/h2-7,15,20,22H,8-14H2,1H3;2*1H
InChIKeyAGWHQJFNJZRYBV-UHFFFAOYSA-N
MW403.35 g/mol
LogP3.27
Rot. Bonds7

About 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride

1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride (PubChem CID 17333534) has the molecular formula C19H28Cl2N2O3 and a molecular weight of 403.35 g/mol. Its IUPAC name is 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride.

Molecular Properties

Compound Name1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
PubChem CID17333534
Molecular FormulaC19H28Cl2N2O3
Molecular Weight403.35 g/mol
Exact Mass402.15
IUPAC Name1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
SMILESCC(O)c1ccc(-c2ccc(CNCCN3CCOCC3)o2)cc1.Cl.Cl
InChIInChI=1S/C19H26N2O3.2ClH/c1-15(22)16-2-4-17(5-3-16)19-7-6-18(24-19)14-20-8-9-21-10-12-23-13-11-21;;/h2-7,15,20,22H,8-14H2,1H3;2*1H
InChIKeyAGWHQJFNJZRYBV-UHFFFAOYSA-N
XLogP3.27
TPSA57.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543
1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
3-morpholin-4-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine;dihydrochloride
CID 6456966
dimethyl 5-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate;dihydrochloride
CID 17333473
(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
N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine
CID 4723728
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098
1-(2-morpholin-4-ylethylamino)propan-2-ol
CID 43393555

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride?
The IUPAC name of 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride (CID 17333534) is 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride.
What is the SMILES notation for 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride?
The canonical SMILES for 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride is CC(O)c1ccc(-c2ccc(CNCCN3CCOCC3)o2)cc1.Cl.Cl.
What is the InChIKey of 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride?
The InChIKey is AGWHQJFNJZRYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.2ClH/c1-15(22)16-2-4-17(5-3-16)19-7-6-18(24-19)14-20-8-9-21-10-12-23-13-11-21;;/h2-7,15,20,22H,8-14H2,1H3;2*1H.
What are the key properties of 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride?
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride has a molecular weight of 403.35 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride is sourced from PubChem (CID 17333534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).