[4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol

C16H17FN2O — CID 171774262

IUPAC[4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol
SMILESOCc1ccc(CNc2cccc3c2CNC3)c(F)c1
InChIInChI=1S/C16H17FN2O/c17-15-6-11(10-20)4-5-13(15)8-19-16-3-1-2-12-7-18-9-14(12)16/h1-6,18-20H,7-10H2
InChIKeyQWEBZVZDVLEFHK-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.53
Rot. Bonds4

About [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol

[4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol (PubChem CID 171774262) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol
PubChem CID171774262
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name[4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol
SMILESOCc1ccc(CNc2cccc3c2CNC3)c(F)c1
InChIInChI=1S/C16H17FN2O/c17-15-6-11(10-20)4-5-13(15)8-19-16-3-1-2-12-7-18-9-14(12)16/h1-6,18-20H,7-10H2
InChIKeyQWEBZVZDVLEFHK-UHFFFAOYSA-N
XLogP2.53
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol with MolForge

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Related Compounds

2-(2,5-Dimethylanilino)-1-phenylethanol
CID 4401326
((4R,10aR)-4-Methyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indol-7-yl)-methanol
CID 20824946
(1S,2R)-1-(2,3-dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol;hydrochloride
CID 45139779
(1S,2R)-1-(3-fluorophenyl)-3-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol;hydrochloride
CID 45139781
{2-[(2,5-Dimethyl-phenylamino)-methyl]-phenyl}-methanol
CID 687023
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
CID 10977238
(2,3-dihydro-1H-indol-4-yl)methanol
CID 11389477
(2,3-dihydro-1H-indol-6-yl)methanol
CID 20666213
[2-[(4-Fluoroanilino)methyl]phenyl]methanol
CID 686996
2-(2,3-dihydro-1H-indol-6-yl)propan-2-ol
CID 84656120
1-(3-Fluorophenyl)-3-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-2-ol
CID 11674053
1-(2,3-Dihydroindol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 11709211

Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol?
The IUPAC name of [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol (CID 171774262) is [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol.
What is the SMILES notation for [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol?
The canonical SMILES for [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol is OCc1ccc(CNc2cccc3c2CNC3)c(F)c1.
What is the InChIKey of [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol?
The InChIKey is QWEBZVZDVLEFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-15-6-11(10-20)4-5-13(15)8-19-16-3-1-2-12-7-18-9-14(12)16/h1-6,18-20H,7-10H2.
What are the key properties of [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol?
[4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol has a molecular weight of 272.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dihydro-1H-isoindol-4-ylamino)methyl]-3-fluorophenyl]methanol is sourced from PubChem (CID 171774262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).