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

C15H21NO2 — CID 76955833

IUPAC(2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@H](O)COc1cccc2c1CC=C2
InChIInChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-6,8,11,13,16-17H,7,9-10H2,1-2H3/t13-/m0/s1
InChIKeySAWHVYHGMYAXLH-ZDUSSCGKSA-N
MW247.34 g/mol
LogP1.99
Rot. Bonds6

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

(2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 76955833) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
PubChem CID76955833
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@H](O)COc1cccc2c1CC=C2
InChIInChI=1S/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-6,8,11,13,16-17H,7,9-10H2,1-2H3/t13-/m0/s1
InChIKeySAWHVYHGMYAXLH-ZDUSSCGKSA-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

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Related Compounds

1-(8,9-dihydro-7H-benzo[7]annulen-1-yloxy)-3-(propan-2-ylamino)propan-2-ol;ethane
CID 142138420
(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 656619
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
ethane;5-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 143124186
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 7372981
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol (CID 76955833) is (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@H](O)COc1cccc2c1CC=C2.
What is the InChIKey of (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is SAWHVYHGMYAXLH-ZDUSSCGKSA-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/h3-6,8,11,13,16-17H,7,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol?
(2S)-1-(3H-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 (2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 76955833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).