(2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol

C19H21F2NO — CID 68608195

IUPAC(2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol
SMILESO[C@H](CCc1cc(F)cc(F)c1)CN[C@H]1CCc2ccccc21
InChIInChI=1S/C19H21F2NO/c20-15-9-13(10-16(21)11-15)5-7-17(23)12-22-19-8-6-14-3-1-2-4-18(14)19/h1-4,9-11,17,19,22-23H,5-8,12H2/t17-,19+/m1/s1
InChIKeyYDMZVZCZTDFLPR-MJGOQNOKSA-N
MW317.38 g/mol
LogP3.54
Rot. Bonds6

About (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol

(2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol (PubChem CID 68608195) has the molecular formula C19H21F2NO and a molecular weight of 317.38 g/mol. Its IUPAC name is (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol.

Molecular Properties

Compound Name(2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol
PubChem CID68608195
Molecular FormulaC19H21F2NO
Molecular Weight317.38 g/mol
Exact Mass317.16
IUPAC Name(2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol
SMILESO[C@H](CCc1cc(F)cc(F)c1)CN[C@H]1CCc2ccccc21
InChIInChI=1S/C19H21F2NO/c20-15-9-13(10-16(21)11-15)5-7-17(23)12-22-19-8-6-14-3-1-2-4-18(14)19/h1-4,9-11,17,19,22-23H,5-8,12H2/t17-,19+/m1/s1
InChIKeyYDMZVZCZTDFLPR-MJGOQNOKSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-2-ylamino)-1-phenylethanol
CID 2809736
(2R)-2-(benzylamino)-3-phenylpropan-1-ol
CID 10900780
3-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol
CID 15944997
1-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}-1-propanol hydrochloride
CID 2979940
1-Propanol, 2-(benzylamino)-3-phenyl-, DL-
CID 209452
1-(2-hydroxypropylamino)-2,3-dihydro-1H-inden-2-ol
CID 244373
2-(Indan-1-ylamino)-cyclohexanol
CID 15925776
(S)-2-benzylamino-3-phenyl-1-propanol
CID 10514267
2-Propanol, 1-(fluoren-9-ylamino)-3-(isopropylamino)-, dihydrochloride
CID 209595
Benzenemethanol, alpha-(((phenylmethyl)amino)methyl)-2-(trifluoromethyl)-
CID 71758651
1-Phenyl-2-{[2-(trifluoromethyl)benzyl]amino}ethanol
CID 2974910
(2R)-2-(9H-fluoren-9-ylamino)butan-1-ol
CID 28723501

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol?
The IUPAC name of (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol (CID 68608195) is (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol.
What is the SMILES notation for (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol?
The canonical SMILES for (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol is O[C@H](CCc1cc(F)cc(F)c1)CN[C@H]1CCc2ccccc21.
What is the InChIKey of (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol?
The InChIKey is YDMZVZCZTDFLPR-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H21F2NO/c20-15-9-13(10-16(21)11-15)5-7-17(23)12-22-19-8-6-14-3-1-2-4-18(14)19/h1-4,9-11,17,19,22-23H,5-8,12H2/t17-,19+/m1/s1.
What are the key properties of (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol?
(2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol has a molecular weight of 317.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3,5-difluorophenyl)-1-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]butan-2-ol is sourced from PubChem (CID 68608195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).