(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

C15H21NO2 — CID 656619

IUPAC(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1cccc2c1C=CC2
InChIInChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3/t13-/m1/s1
InChIKeyMPGBPFMOOXKQRX-CYBMUJFWSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds6

About (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol

(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 656619) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID656619
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](O)COc1cccc2c1C=CC2
InChIInChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3/t13-/m1/s1
InChIKeyMPGBPFMOOXKQRX-CYBMUJFWSA-N
XLogP1.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-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

(2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 76955833
1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol
CID 22758770
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 7372981
1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane
CID 142138420
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 143124186
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (CID 656619) is (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)COc1cccc2c1C=CC2.
What is the InChIKey of (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is MPGBPFMOOXKQRX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 247.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 656619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).