[4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol

C17H18FNO2 — CID 83058682

IUPAC[4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol
SMILESCOc1cccc(NC2(CO)CCc3c(F)cccc32)c1
InChIInChI=1S/C17H18FNO2/c1-21-13-5-2-4-12(10-13)19-17(11-20)9-8-14-15(17)6-3-7-16(14)18/h2-7,10,19-20H,8-9,11H2,1H3
InChIKeyKCHSCKALRMQGHF-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.08
Rot. Bonds4

About [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol

[4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol (PubChem CID 83058682) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol
PubChem CID83058682
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol
SMILESCOc1cccc(NC2(CO)CCc3c(F)cccc32)c1
InChIInChI=1S/C17H18FNO2/c1-21-13-5-2-4-12(10-13)19-17(11-20)9-8-14-15(17)6-3-7-16(14)18/h2-7,10,19-20H,8-9,11H2,1H3
InChIKeyKCHSCKALRMQGHF-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
[1-(2-fluoroanilino)-6-methoxy-2,3-dihydroinden-1-yl]methanol
CID 79372158
2-[1-(ethylamino)-4-fluoro-2,3-dihydroinden-1-yl]ethanol
CID 83070068
4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
CID 83069885
[1-ethyl-4-(3-methoxyanilino)piperidin-4-yl]methanol
CID 61048674
[6-methoxy-1-(methylamino)-2,3-dihydroinden-1-yl]methanol
CID 79375001
[4-methoxy-1-(pyridin-3-ylmethylamino)-2,3-dihydroinden-1-yl]methanol
CID 166251189
2-(1-amino-4-fluoro-2,3-dihydroinden-1-yl)ethanol
CID 83070069
1-[(2-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155880014
4-fluoro-1-(3-methylanilino)-2,3-dihydroindene-1-carbonitrile
CID 83066160
1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070139
1-(3,4-dimethoxyphenyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83058958

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol?
The IUPAC name of [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol (CID 83058682) is [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol.
What is the SMILES notation for [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol?
The canonical SMILES for [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol is COc1cccc(NC2(CO)CCc3c(F)cccc32)c1.
What is the InChIKey of [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol?
The InChIKey is KCHSCKALRMQGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-21-13-5-2-4-12(10-13)19-17(11-20)9-8-14-15(17)6-3-7-16(14)18/h2-7,10,19-20H,8-9,11H2,1H3.
What are the key properties of [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol?
[4-fluoro-1-(3-methoxyanilino)-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 [4-fluoro-1-(3-methoxyanilino)-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 83058682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).