1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol

C21H23NO2 — CID 4725011

IUPAC1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
SMILESCc1ccc(CNCc2ccc(-c3ccc(C(C)O)cc3)o2)cc1
InChIInChI=1S/C21H23NO2/c1-15-3-5-17(6-4-15)13-22-14-20-11-12-21(24-20)19-9-7-18(8-10-19)16(2)23/h3-12,16,22-23H,13-14H2,1-2H3
InChIKeyQOTGRNZPXQGVDS-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.60
Rot. Bonds6

About 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol

1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol (PubChem CID 4725011) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
PubChem CID4725011
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol
SMILESCc1ccc(CNCc2ccc(-c3ccc(C(C)O)cc3)o2)cc1
InChIInChI=1S/C21H23NO2/c1-15-3-5-17(6-4-15)13-22-14-20-11-12-21(24-20)19-9-7-18(8-10-19)16(2)23/h3-12,16,22-23H,13-14H2,1-2H3
InChIKeyQOTGRNZPXQGVDS-UHFFFAOYSA-N
XLogP4.60
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol with MolForge

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Related Compounds

1-[4-[5-[[2-(dimethylamino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4725000
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
CID 8639245
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
2-methyl-3-[[5-(4-methylphenyl)furan-2-yl]methylamino]propan-1-ol
CID 110905965
1-[4-[5-[(2-methylbutan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol
CID 17210963
(1S)-1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639329
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
(1R,2S)-2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]-1-phenylpropan-1-ol
CID 8639340
(1R)-1-[4-[5-[(cyclooctylamino)methyl]furan-2-yl]phenyl]ethanol
CID 8639511
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-1-[4-(propan-2-yloxymethyl)phenyl]methanamine
CID 55738362

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol (CID 4725011) is 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol is Cc1ccc(CNCc2ccc(-c3ccc(C(C)O)cc3)o2)cc1.
What is the InChIKey of 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is QOTGRNZPXQGVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-15-3-5-17(6-4-15)13-22-14-20-11-12-21(24-20)19-9-7-18(8-10-19)16(2)23/h3-12,16,22-23H,13-14H2,1-2H3.
What are the key properties of 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol?
1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol has a molecular weight of 321.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[[(4-methylphenyl)methylamino]methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 4725011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).