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

C14H16FNO2 — CID 61426638

IUPAC[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
SMILESCc1occc1CN(C)c1ccc(CO)cc1F
InChIInChI=1S/C14H16FNO2/c1-10-12(5-6-18-10)8-16(2)14-4-3-11(9-17)7-13(14)15/h3-7,17H,8-9H2,1-2H3
InChIKeyANHIPZFJUVVCBW-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.86
Rot. Bonds4

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

[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol (PubChem CID 61426638) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
PubChem CID61426638
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
SMILESCc1occc1CN(C)c1ccc(CO)cc1F
InChIInChI=1S/C14H16FNO2/c1-10-12(5-6-18-10)8-16(2)14-4-3-11(9-17)7-13(14)15/h3-7,17H,8-9H2,1-2H3
InChIKeyANHIPZFJUVVCBW-UHFFFAOYSA-N
XLogP2.86
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.86
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
4-[6-(Furan-2-yl)hexylamino]benzoic acid
CID 20536427
Ethyl 4-[3-(furan-2-yl)propylamino]benzoate
CID 44278765
3-((2E)-3-(2-furyl)prop-2-enoyl)-4-hydroxy-1-methylhydroquinolin-2-one
CID 54698735
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
1-[3-(Furan-2-yl)propyl]-4-[4-(trifluoromethyl)phenyl]piperazine
CID 154464298
2-(4-Dimethylaminophenyl)furan
CID 11788715

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol (CID 61426638) is [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol is Cc1occc1CN(C)c1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The InChIKey is ANHIPZFJUVVCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10-12(5-6-18-10)8-16(2)14-4-3-11(9-17)7-13(14)15/h3-7,17H,8-9H2,1-2H3.
What are the key properties of [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
[3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol has a molecular weight of 249.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 61426638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).