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

C18H20FNO — CID 79125131

IUPAC1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)C1(CN)CCc2ccccc21
InChIInChI=1S/C18H20FNO/c1-17(21,14-6-8-15(19)9-7-14)18(12-20)11-10-13-4-2-3-5-16(13)18/h2-9,21H,10-12,20H2,1H3
InChIKeyNKHOEQOAJOULAO-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.88
Rot. Bonds3

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

1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol (PubChem CID 79125131) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol
PubChem CID79125131
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)C1(CN)CCc2ccccc21
InChIInChI=1S/C18H20FNO/c1-17(21,14-6-8-15(19)9-7-14)18(12-20)11-10-13-4-2-3-5-16(13)18/h2-9,21H,10-12,20H2,1H3
InChIKeyNKHOEQOAJOULAO-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-2,3-dihydro-1H-inden-1-ol
CID 14348695
(S)-(-)-2-Amino-3,3-dimethyl-1,1-diphenyl-1-butanol
CID 10333308
9-(1-Aminopropan-2-yl)-9H-fluoren-9-ol--hydrogen chloride (1/1)
CID 27024
4-(Aminomethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492472
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
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
4-Amino-2-[4-(2-fluorophenyl)phenyl]butan-2-ol
CID 20302452

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol (CID 79125131) is 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol is CC(O)(c1ccc(F)cc1)C1(CN)CCc2ccccc21.
What is the InChIKey of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol?
The InChIKey is NKHOEQOAJOULAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-17(21,14-6-8-15(19)9-7-14)18(12-20)11-10-13-4-2-3-5-16(13)18/h2-9,21H,10-12,20H2,1H3.
What are the key properties of 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol?
1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol has a molecular weight of 285.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-2,3-dihydroinden-1-yl]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 79125131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).