(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol

C18H26N2O2 — CID 8639245

IUPAC(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(-c2ccc(CNCCCN(C)C)o2)cc1
InChIInChI=1S/C18H26N2O2/c1-14(21)15-5-7-16(8-6-15)18-10-9-17(22-18)13-19-11-4-12-20(2)3/h5-10,14,19,21H,4,11-13H2,1-3H3/t14-/m1/s1
InChIKeyBUYLLSAXDSXYPX-CQSZACIVSA-N
MW302.42 g/mol
LogP3.04
Rot. Bonds8

About (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol

(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol (PubChem CID 8639245) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
PubChem CID8639245
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol
SMILESC[C@@H](O)c1ccc(-c2ccc(CNCCCN(C)C)o2)cc1
InChIInChI=1S/C18H26N2O2/c1-14(21)15-5-7-16(8-6-15)18-10-9-17(22-18)13-19-11-4-12-20(2)3/h5-10,14,19,21H,4,11-13H2,1-3H3/t14-/m1/s1
InChIKeyBUYLLSAXDSXYPX-CQSZACIVSA-N
XLogP3.04
TPSA48.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.04
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
N-[[5-(4-fluorophenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17331982
1-[4-[5-[(2-methoxyethylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17333543
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
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine;dihydrochloride
CID 17056331
1-[4-[5-[(2-morpholin-4-ylethylamino)methyl]furan-2-yl]phenyl]ethanol;dihydrochloride
CID 17333534
(1R)-1-[4-[5-[[[(2R)-butan-2-yl]amino]methyl]furan-2-yl]phenyl]ethanol
CID 8639149
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 171700325
1-[4-[5-[[2-(4-nitroanilino)ethylamino]methyl]furan-2-yl]phenyl]ethanol
CID 4724984

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol?
The IUPAC name of (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol (CID 8639245) is (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol?
The canonical SMILES for (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol is C[C@@H](O)c1ccc(-c2ccc(CNCCCN(C)C)o2)cc1.
What is the InChIKey of (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol?
The InChIKey is BUYLLSAXDSXYPX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14(21)15-5-7-16(8-6-15)18-10-9-17(22-18)13-19-11-4-12-20(2)3/h5-10,14,19,21H,4,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol?
(1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol has a molecular weight of 302.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-[5-[[3-(dimethylamino)propylamino]methyl]furan-2-yl]phenyl]ethanol is sourced from PubChem (CID 8639245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).