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

C14H16FNO2 — CID 61426736

IUPAC[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
SMILESCc1occc1CN(C)c1ccc(F)cc1CO
InChIInChI=1S/C14H16FNO2/c1-10-11(5-6-18-10)8-16(2)14-4-3-13(15)7-12(14)9-17/h3-7,17H,8-9H2,1-2H3
InChIKeyUGVATSCZWULTLR-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.86
Rot. Bonds4

About [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol

[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol (PubChem CID 61426736) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol.

Molecular Properties

Compound Name[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
PubChem CID61426736
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol
SMILESCc1occc1CN(C)c1ccc(F)cc1CO
InChIInChI=1S/C14H16FNO2/c1-10-11(5-6-18-10)8-16(2)14-4-3-13(15)7-12(14)9-17/h3-7,17H,8-9H2,1-2H3
InChIKeyUGVATSCZWULTLR-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

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Related Compounds

4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[(propan-2-ylamino)methyl]aniline
CID 61426639
1-[5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]ethanol
CID 61426540
5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 61426683
2-[(1R)-1-aminoethyl]-4-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934743
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzoic acid
CID 107907810
2-[4-fluoro-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375135
4-fluoro-2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]benzenecarbothioamide
CID 64765230
4-[(1S)-1-aminoethyl]-2-fluoro-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 78934703
5-methyl-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 62515703
[2-[(3-bromophenyl)methyl-methylamino]-5-fluorophenyl]methanol
CID 61416355
4-chloro-2-(ethylaminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 114848876
N-(2-amino-5-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426421

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The IUPAC name of [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol (CID 61426736) is [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol.
What is the SMILES notation for [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The canonical SMILES for [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol is Cc1occc1CN(C)c1ccc(F)cc1CO.
What is the InChIKey of [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
The InChIKey is UGVATSCZWULTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-10-11(5-6-18-10)8-16(2)14-4-3-13(15)7-12(14)9-17/h3-7,17H,8-9H2,1-2H3.
What are the key properties of [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol?
[5-fluoro-2-[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 [5-fluoro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]phenyl]methanol is sourced from PubChem (CID 61426736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).