1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol

C18H20FNO — CID 79125134

IUPAC1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C18H20FNO/c1-17(21,15-6-8-16(19)9-7-15)18(12-20)10-13-4-2-3-5-14(13)11-18/h2-9,21H,10-12,20H2,1H3
InChIKeyPYVPKYLNQZSBKZ-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.78
Rot. Bonds3

About 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol

1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 79125134) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol
PubChem CID79125134
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)C1(CN)Cc2ccccc2C1
InChIInChI=1S/C18H20FNO/c1-17(21,15-6-8-16(19)9-7-15)18(12-20)10-13-4-2-3-5-14(13)11-18/h2-9,21H,10-12,20H2,1H3
InChIKeyPYVPKYLNQZSBKZ-UHFFFAOYSA-N
XLogP2.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-(1-Aminopropan-2-yl)-9H-fluoren-9-ol--hydrogen chloride (1/1)
CID 27024
5H-Dibenzo(a,d)cyclohepten-5-ol, 5-(2-amino-1-methylethyl)-, hydrochloride
CID 54091
2-Methyl-3,3-diphenyl-3-propanolamine
CID 26538
alpha-[1-(Aminomethyl)propyl]benzhydryl alcohol
CID 90731
1-(aminomethyl)-6-fluoro-2,3-dihydro-1H-inden-1-ol
CID 55268800
1-(aminomethyl)-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 83906486
1-(2-aminoethyl)-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 139026737
9-(1-Aminopropan-2-yl)fluoren-9-ol
CID 27025
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-ol
CID 11565356
4-Amino-2-[4-(2,4-difluorophenyl)phenyl]butan-2-ol
CID 20302083
3-(4'-Fluoro-4-biphenylyl)-3-hydroxybutylamine
CID 20302326
1-Amino-2-[4-(4-fluorophenyl)phenyl]propan-2-ol
CID 20302358

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol (CID 79125134) is 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol is CC(O)(c1ccc(F)cc1)C1(CN)Cc2ccccc2C1.
What is the InChIKey of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is PYVPKYLNQZSBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-17(21,15-6-8-16(19)9-7-15)18(12-20)10-13-4-2-3-5-14(13)11-18/h2-9,21H,10-12,20H2,1H3.
What are the key properties of 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol?
1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 285.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-1,3-dihydroinden-2-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 79125134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).