3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol

C19H22F2N2O2 — CID 91072068

IUPAC3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol
SMILESNC(COc1cc(F)cc(F)c1)C(O)CNC1CCc2ccccc21
InChIInChI=1S/C19H22F2N2O2/c20-13-7-14(21)9-15(8-13)25-11-17(22)19(24)10-23-18-6-5-12-3-1-2-4-16(12)18/h1-4,7-9,17-19,23-24H,5-6,10-11,22H2
InChIKeyLTAWINSWYHUATR-UHFFFAOYSA-N
MW348.39 g/mol
LogP2.31
Rot. Bonds7

About 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol

3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol (PubChem CID 91072068) has the molecular formula C19H22F2N2O2 and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol.

Molecular Properties

Compound Name3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol
PubChem CID91072068
Molecular FormulaC19H22F2N2O2
Molecular Weight348.39 g/mol
Exact Mass348.16
IUPAC Name3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol
SMILESNC(COc1cc(F)cc(F)c1)C(O)CNC1CCc2ccccc21
InChIInChI=1S/C19H22F2N2O2/c20-13-7-14(21)9-15(8-13)25-11-17(22)19(24)10-23-18-6-5-12-3-1-2-4-16(12)18/h1-4,7-9,17-19,23-24H,5-6,10-11,22H2
InChIKeyLTAWINSWYHUATR-UHFFFAOYSA-N
XLogP2.31
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-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

N-[(3-chloro-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 114452205
2-(2,3-dihydro-1H-inden-1-ylamino)-1-phenylethanol
CID 43394134
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-ylamino)propan-2-ol
CID 103157324
1-(2,3-dihydro-1H-inden-1-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729065
(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
CID 2520495
N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-inden-1-amine
CID 24702173
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanamide
CID 43652107
(2R)-3-amino-4-(3,5-difluorophenyl)-1-[[7-(2,2-dimethylpropyl)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-ol
CID 59365392
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
3-(2,3-dihydro-1H-inden-1-ylamino)-2-methylpropanoic acid
CID 43652106
2-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-4-fluorophenol
CID 103948018
(2S)-3-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-2-fluoropropane-1-sulfonic acid
CID 58691843

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol?
The IUPAC name of 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol (CID 91072068) is 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol.
What is the SMILES notation for 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol?
The canonical SMILES for 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol is NC(COc1cc(F)cc(F)c1)C(O)CNC1CCc2ccccc21.
What is the InChIKey of 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol?
The InChIKey is LTAWINSWYHUATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2/c20-13-7-14(21)9-15(8-13)25-11-17(22)19(24)10-23-18-6-5-12-3-1-2-4-16(12)18/h1-4,7-9,17-19,23-24H,5-6,10-11,22H2.
What are the key properties of 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol?
3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol has a molecular weight of 348.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,5-difluorophenoxy)-1-(2,3-dihydro-1H-inden-1-ylamino)butan-2-ol is sourced from PubChem (CID 91072068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).