(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol

C18H20FNO2 — CID 97229562

IUPAC(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)CN[C@H]2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C18H20FNO2/c1-22-15-7-3-13(4-8-15)18(21)11-20-17-9-5-12-2-6-14(19)10-16(12)17/h2-4,6-8,10,17-18,20-21H,5,9,11H2,1H3/t17-,18+/m0/s1
InChIKeyNXBGJBMPCOUXPW-ZWKOTPCHSA-N
MW301.36 g/mol
LogP3.14
Rot. Bonds5

About (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol

(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol (PubChem CID 97229562) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
PubChem CID97229562
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc([C@H](O)CN[C@H]2CCc3ccc(F)cc32)cc1
InChIInChI=1S/C18H20FNO2/c1-22-15-7-3-13(4-8-15)18(21)11-20-17-9-5-12-2-6-14(19)10-16(12)17/h2-4,6-8,10,17-18,20-21H,5,9,11H2,1H3/t17-,18+/m0/s1
InChIKeyNXBGJBMPCOUXPW-ZWKOTPCHSA-N
XLogP3.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol with MolForge

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Related Compounds

(1S)-2-[[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol
CID 97229560
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370217
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
2-(cyclobutylamino)-1-(4-methoxyphenyl)ethanol
CID 62414370
6-methoxy-N-(2-methyl-3-methylsulfanylpropyl)-2,3-dihydro-1H-inden-1-amine
CID 79367150
N-(2-ethoxypropyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113262166
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
2,2-difluoro-3-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 113463329
1-(4-methoxyphenyl)-2-(thian-4-ylamino)ethanol
CID 71941895
4-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 106840756

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol (CID 97229562) is (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol is COc1ccc([C@H](O)CN[C@H]2CCc3ccc(F)cc32)cc1.
What is the InChIKey of (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is NXBGJBMPCOUXPW-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-22-15-7-3-13(4-8-15)18(21)11-20-17-9-5-12-2-6-14(19)10-16(12)17/h2-4,6-8,10,17-18,20-21H,5,9,11H2,1H3/t17-,18+/m0/s1.
What are the key properties of (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol?
(1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 301.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[(1S)-6-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 97229562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).