(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol

C19H23NO2 — CID 95627737

IUPAC(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol
SMILESOCCN(C[C@H](O)c1ccccc1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H23NO2/c21-13-12-20(14-19(22)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)18/h1-9,18-19,21-22H,10-14H2/t18-,19+/m1/s1
InChIKeyBWDKFUHKEYTHNR-MOPGFXCFSA-N
MW297.40 g/mol
LogP2.70
Rot. Bonds6

About (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol

(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol (PubChem CID 95627737) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol
PubChem CID95627737
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol
SMILESOCCN(C[C@H](O)c1ccccc1)[C@@H]1CCc2ccccc21
InChIInChI=1S/C19H23NO2/c21-13-12-20(14-19(22)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)18/h1-9,18-19,21-22H,10-14H2/t18-,19+/m1/s1
InChIKeyBWDKFUHKEYTHNR-MOPGFXCFSA-N
XLogP2.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol with MolForge

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Related Compounds

3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
2-[2,3-dihydro-1H-inden-1-yl(piperidin-4-ylmethyl)amino]ethanol;hydrochloride
CID 119931686
2-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]-N-propan-2-ylacetamide
CID 111333591
2-[2,3-dihydro-1H-inden-1-yl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606505
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]ethyl]ethanesulfonamide
CID 95627739
4-[[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]methyl]benzamide
CID 166194548
2-[2,3-dihydro-1H-inden-1-yl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]ethanol
CID 111333577
tert-butyl 3-[2,3-dihydro-1H-inden-1-yl(2-hydroxyethyl)amino]propanoate
CID 111799360
3-[2,3-dihydro-1H-inden-1-yl(3-methoxypropyl)amino]propan-1-ol
CID 111333716
2-[carboxymethyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026801
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]amino]ethanol
CID 96547859

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol?
The IUPAC name of (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol (CID 95627737) is (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol?
The canonical SMILES for (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol is OCCN(C[C@H](O)c1ccccc1)[C@@H]1CCc2ccccc21.
What is the InChIKey of (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol?
The InChIKey is BWDKFUHKEYTHNR-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H23NO2/c21-13-12-20(14-19(22)16-7-2-1-3-8-16)18-11-10-15-6-4-5-9-17(15)18/h1-9,18-19,21-22H,10-14H2/t18-,19+/m1/s1.
What are the key properties of (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol?
(1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol has a molecular weight of 297.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-(2-hydroxyethyl)amino]-1-phenylethanol is sourced from PubChem (CID 95627737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).