1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol

C15H18FNO2 — CID 61426839

IUPAC1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
SMILESCc1occc1CN(C)c1ccc(C(C)O)cc1F
InChIInChI=1S/C15H18FNO2/c1-10(18)12-4-5-15(14(16)8-12)17(3)9-13-6-7-19-11(13)2/h4-8,10,18H,9H2,1-3H3
InChIKeyQVTXSISCJYBRPV-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.42
Rot. Bonds4

About 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol

1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol (PubChem CID 61426839) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
PubChem CID61426839
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
SMILESCc1occc1CN(C)c1ccc(C(C)O)cc1F
InChIInChI=1S/C15H18FNO2/c1-10(18)12-4-5-15(14(16)8-12)17(3)9-13-6-7-19-11(13)2/h4-8,10,18H,9H2,1-3H3
InChIKeyQVTXSISCJYBRPV-UHFFFAOYSA-N
XLogP3.42
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(Dimethylamino)phenyl]-5-(2-furyl)-1,4-pentadien-3-one
CID 744328
2-[4-[2-(Furan-2-yl)ethylamino]phenyl]ethanol
CID 51361047
2,2,2-Trifluoro-1-[4-fluoro-2-(furan-2-ylmethylamino)phenyl]ethanol
CID 155439060
4-[6-(Furan-2-yl)hexylamino]benzoic acid
CID 20536427
N-[2-fluoro-4-(furan-2-yl)phenyl]oxan-4-amine
CID 122147081
methyl 4-[2,6-difluoro-4-[3-(hydroxymethyl)furan-2-yl]-N-methylanilino]butanoate
CID 132052025
1-[4-(Dimethylamino)phenyl]-2,2,2-trifluoro-1-(furan-3-yl)ethanol
CID 140304086
1,1,1-trifluoro-3-(N-[(4E)-5-(furan-2-yl)-3-methylidenehepta-4,6-dienyl]-3-phenylmethoxyanilino)propan-2-ol
CID 141991611
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-N-pentylfuran-3-carboxamide
CID 143449696
2-(4-Dimethylaminophenyl)furan
CID 11788715
Benzenamine, 4-[2-(2-furanyl)ethenyl]-N,N-dimethyl-
CID 11820532
2-[4-(Furan-2-ylmethylamino)phenyl]ethanol
CID 61238584

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The IUPAC name of 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol (CID 61426839) is 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol is Cc1occc1CN(C)c1ccc(C(C)O)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
The InChIKey is QVTXSISCJYBRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-10(18)12-4-5-15(14(16)8-12)17(3)9-13-6-7-19-11(13)2/h4-8,10,18H,9H2,1-3H3.
What are the key properties of 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol?
1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol has a molecular weight of 263.31 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol is sourced from PubChem (CID 61426839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).