1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol

C19H22FNO2 — CID 75514600

IUPAC1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
SMILESCc1cc(F)ccc1C(O)CNC1(CO)CCc2ccccc21
InChIInChI=1S/C19H22FNO2/c1-13-10-15(20)6-7-16(13)18(23)11-21-19(12-22)9-8-14-4-2-3-5-17(14)19/h2-7,10,18,21-23H,8-9,11-12H2,1H3
InChIKeyMEGCMXPSMFRIPZ-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.59
Rot. Bonds5

About 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol

1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol (PubChem CID 75514600) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
PubChem CID75514600
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
SMILESCc1cc(F)ccc1C(O)CNC1(CO)CCc2ccccc21
InChIInChI=1S/C19H22FNO2/c1-13-10-15(20)6-7-16(13)18(23)11-21-19(12-22)9-8-14-4-2-3-5-17(14)19/h2-7,10,18,21-23H,8-9,11-12H2,1H3
InChIKeyMEGCMXPSMFRIPZ-UHFFFAOYSA-N
XLogP2.59
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol with MolForge

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Related Compounds

1-(2-fluorophenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol
CID 75437455
(1S)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79002158
[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
CID 61049623
[1-(methylamino)-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 61054317
1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
CID 55116074
2-(1-adamantyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 115794145
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanol
CID 105093857
1-(2,4-difluorophenyl)-2-(2,3-dihydro-1H-inden-2-ylamino)ethanol
CID 103776797
1-(4-fluoro-2-methylphenyl)-2-naphthalen-1-ylethanol
CID 65149639
2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
bis(4-fluoro-2-methylphenyl)methanol
CID 14371387
(4-fluoro-2-methylphenyl)-(1-phenylcyclopropyl)methanamine
CID 63078447

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol (CID 75514600) is 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol is Cc1cc(F)ccc1C(O)CNC1(CO)CCc2ccccc21.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol?
The InChIKey is MEGCMXPSMFRIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-13-10-15(20)6-7-16(13)18(23)11-21-19(12-22)9-8-14-4-2-3-5-17(14)19/h2-7,10,18,21-23H,8-9,11-12H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol?
1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol has a molecular weight of 315.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-[[1-(hydroxymethyl)-2,3-dihydroinden-1-yl]amino]ethanol is sourced from PubChem (CID 75514600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).