3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol

C16H16FNO — CID 107089519

IUPAC3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H16FNO/c17-12-7-5-11(6-8-12)9-16(19)10-15(18)13-3-1-2-4-14(13)16/h1-8,15,19H,9-10,18H2
InChIKeyQEONTDCRNGYZFT-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.66
Rot. Bonds2

About 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol

3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol (PubChem CID 107089519) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
PubChem CID107089519
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol
SMILESNC1CC(O)(Cc2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C16H16FNO/c17-12-7-5-11(6-8-12)9-16(19)10-15(18)13-3-1-2-4-14(13)16/h1-8,15,19H,9-10,18H2
InChIKeyQEONTDCRNGYZFT-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(1-Aminopropan-2-yl)-9H-fluoren-9-ol--hydrogen chloride (1/1)
CID 27024
3-amino-2,3-dihydro-1H-inden-1-ol
CID 9855521
1-Indanol, 2-(alpha-aminobenzyl)-, hydrochloride, cis-(+-)-
CID 213905
Brn 2140139
CID 215778
4-(Aminomethyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492472
(1R,2E,3R)-2-benzylidene-3-(cyclohexylamino)-1,3-dihydroinden-1-ol
CID 69953974
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
rac-(1R,3S)-3-amino-2,3-dihydro-1H-inden-1-ol hydrochloride
CID 154878828
(1S,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013033
(1R,3S)-3-Amino-2,3-dihydro-1H-inden-1-ol
CID 12013035
9-(1-Aminopropan-2-yl)fluoren-9-ol
CID 27025

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol (CID 107089519) is 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol is NC1CC(O)(Cc2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
The InChIKey is QEONTDCRNGYZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-12-7-5-11(6-8-12)9-16(19)10-15(18)13-3-1-2-4-14(13)16/h1-8,15,19H,9-10,18H2.
What are the key properties of 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol?
3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol has a molecular weight of 257.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(4-fluorophenyl)methyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107089519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).