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

C17H18FNO2 — CID 79372158

IUPAC[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
SMILESCOc1ccc2c(c1)C(CO)(Nc1ccccc1F)CC2
InChIInChI=1S/C17H18FNO2/c1-21-13-7-6-12-8-9-17(11-20,14(12)10-13)19-16-5-3-2-4-15(16)18/h2-7,10,19-20H,8-9,11H2,1H3
InChIKeyBRLAQUOXTAKRQL-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds4

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

[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol (PubChem CID 79372158) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
PubChem CID79372158
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
SMILESCOc1ccc2c(c1)C(CO)(Nc1ccccc1F)CC2
InChIInChI=1S/C17H18FNO2/c1-21-13-7-6-12-8-9-17(11-20,14(12)10-13)19-16-5-3-2-4-15(16)18/h2-7,10,19-20H,8-9,11H2,1H3
InChIKeyBRLAQUOXTAKRQL-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-(3-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372156
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
[4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol
CID 83058682
[1-(butan-2-ylamino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79374790
1-(2-fluorophenyl)-6-methoxy-2,3-dihydroinden-1-amine
CID 79375070
1-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79233836
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
6-methoxy-1-phenyl-2,3-dihydroinden-1-amine
CID 79374582
1-(2-chloroanilino)-6-methoxy-2,3-dihydroindene-1-carbonitrile
CID 79370255
1-(3,4-difluorophenyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374991
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol (CID 79372158) is [1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol is COc1ccc2c(c1)C(CO)(Nc1ccccc1F)CC2.
What is the InChIKey of [1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
The InChIKey is BRLAQUOXTAKRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-13-7-6-12-8-9-17(11-20,14(12)10-13)19-16-5-3-2-4-15(16)18/h2-7,10,19-20H,8-9,11H2,1H3.
What are the key properties of [1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol?
[1-(2-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-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 79372158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).