(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol

C18H20FNO2 — CID 97322188

IUPAC(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCOc1ccc([C@H](C)N[C@@H]2CCc3c(O)cccc32)c(F)c1
InChIInChI=1S/C18H20FNO2/c1-11(13-7-6-12(22-2)10-16(13)19)20-17-9-8-15-14(17)4-3-5-18(15)21/h3-7,10-11,17,20-21H,8-9H2,1-2H3/t11-,17+/m0/s1
InChIKeyIXUMBGROLHWLPR-APPDUMDISA-N
MW301.36 g/mol
LogP3.88
Rot. Bonds4

About (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol

(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 97322188) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID97322188
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESCOc1ccc([C@H](C)N[C@@H]2CCc3c(O)cccc32)c(F)c1
InChIInChI=1S/C18H20FNO2/c1-11(13-7-6-12(22-2)10-16(13)19)20-17-9-8-15-14(17)4-3-5-18(15)21/h3-7,10-11,17,20-21H,8-9H2,1-2H3/t11-,17+/m0/s1
InChIKeyIXUMBGROLHWLPR-APPDUMDISA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol with MolForge

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Related Compounds

1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 60945188
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 78956202
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 78956060
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]cyclopentanamine
CID 43756493
4-[[(1R)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]cyclohexan-1-ol
CID 98264241
1-[(1-hydroxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 79254434
1-[1-(5-methylfuran-2-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43685026
1-[[(1S)-1-pyridin-4-ylethyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 81406364
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
1-[(1-methoxy-3-methylbutan-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 65047922
1-(1-cyclobutylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115717656
(2-cyclopropylphenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395056

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol (CID 97322188) is (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol is COc1ccc([C@H](C)N[C@@H]2CCc3c(O)cccc32)c(F)c1.
What is the InChIKey of (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is IXUMBGROLHWLPR-APPDUMDISA-N. The full InChI is InChI=1S/C18H20FNO2/c1-11(13-7-6-12(22-2)10-16(13)19)20-17-9-8-15-14(17)4-3-5-18(15)21/h3-7,10-11,17,20-21H,8-9H2,1-2H3/t11-,17+/m0/s1.
What are the key properties of (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol?
(1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 301.36 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[(1S)-1-(2-fluoro-4-methoxyphenyl)ethyl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 97322188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).