[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol

C17H18FNO2 — CID 79372156

IUPAC[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
SMILESCOc1ccc2c(c1)C(CO)(Nc1cccc(F)c1)CC2
InChIInChI=1S/C17H18FNO2/c1-21-15-6-5-12-7-8-17(11-20,16(12)10-15)19-14-4-2-3-13(18)9-14/h2-6,9-10,19-20H,7-8,11H2,1H3
InChIKeyOOSCTEPYTKKBMU-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds4

About [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol

[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol (PubChem CID 79372156) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
PubChem CID79372156
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
SMILESCOc1ccc2c(c1)C(CO)(Nc1cccc(F)c1)CC2
InChIInChI=1S/C17H18FNO2/c1-21-15-6-5-12-7-8-17(11-20,16(12)10-15)19-14-4-2-3-13(18)9-14/h2-6,9-10,19-20H,7-8,11H2,1H3
InChIKeyOOSCTEPYTKKBMU-UHFFFAOYSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372158
[4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol
CID 83058682
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79374790
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
[1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexyl]methanol
CID 103961232
N-(3-fluorophenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239496
[4-(3-fluoroanilino)piperidin-4-yl]methanol
CID 61243193
3-fluoro-N-[3-(4-methoxyphenoxy)propyl]aniline
CID 82096015
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
6-methoxy-1-(3-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 79374921
1-(3-fluorophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215715

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol (CID 79372156) is [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol is COc1ccc2c(c1)C(CO)(Nc1cccc(F)c1)CC2.
What is the InChIKey of [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The InChIKey is OOSCTEPYTKKBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-15-6-5-12-7-8-17(11-20,16(12)10-15)19-14-4-2-3-13(18)9-14/h2-6,9-10,19-20H,7-8,11H2,1H3.
What are the key properties of [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
[1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol has a molecular weight of 287.33 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 79372156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).