[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol

C13H14FNO2 — CID 64579556

IUPAC[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
SMILESCc1ccc(F)c(NCc2ccc(CO)o2)c1
InChIInChI=1S/C13H14FNO2/c1-9-2-5-12(14)13(6-9)15-7-10-3-4-11(8-16)17-10/h2-6,15-16H,7-8H2,1H3
InChIKeyMRMKCUVTUUFXRW-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.83
Rot. Bonds4

About [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol

[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol (PubChem CID 64579556) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
PubChem CID64579556
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
SMILESCc1ccc(F)c(NCc2ccc(CO)o2)c1
InChIInChI=1S/C13H14FNO2/c1-9-2-5-12(14)13(6-9)15-7-10-3-4-11(8-16)17-10/h2-6,15-16H,7-8H2,1H3
InChIKeyMRMKCUVTUUFXRW-UHFFFAOYSA-N
XLogP2.83
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
[5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-yl]methanol
CID 107643965
[5-[(2-bromo-4-chloroanilino)methyl]furan-2-yl]methanol
CID 81263655
[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
CID 64578011
[5-[(4,5-dimethoxy-2-methylanilino)methyl]furan-2-yl]methanol
CID 64580358
4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbenzoic acid
CID 64578614
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
CID 54882236
2-fluoro-5-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43772787
2,4,5-trifluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 55118351
4-[(2-fluoro-5-methylanilino)methyl]benzene-1,2-diol
CID 28968371
3-[(2-fluoro-5-methylanilino)methyl]furan-2-carboxylic acid
CID 103236587

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol (CID 64579556) is [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol is Cc1ccc(F)c(NCc2ccc(CO)o2)c1.
What is the InChIKey of [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol?
The InChIKey is MRMKCUVTUUFXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-9-2-5-12(14)13(6-9)15-7-10-3-4-11(8-16)17-10/h2-6,15-16H,7-8H2,1H3.
What are the key properties of [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol?
[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol has a molecular weight of 235.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64579556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).