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

C21H25NO2 — CID 22758770

IUPAC1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol
SMILESCC(C)(NCC(O)COc1cccc2c1C=CC2)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(2,17-10-4-3-5-11-17)22-14-18(23)15-24-20-13-7-9-16-8-6-12-19(16)20/h3-7,9-13,18,22-23H,8,14-15H2,1-2H3
InChIKeyNTNCBGSHHBELQH-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.52
Rot. Bonds7

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

1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol (PubChem CID 22758770) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol
PubChem CID22758770
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol
SMILESCC(C)(NCC(O)COc1cccc2c1C=CC2)c1ccccc1
InChIInChI=1S/C21H25NO2/c1-21(2,17-10-4-3-5-11-17)22-14-18(23)15-24-20-13-7-9-16-8-6-12-19(16)20/h3-7,9-13,18,22-23H,8,14-15H2,1-2H3
InChIKeyNTNCBGSHHBELQH-UHFFFAOYSA-N
XLogP3.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 656619
2-[4-[2-[[3-(2,3-diaminophenoxy)-2-hydroxypropyl]amino]propan-2-yl]phenoxy]acetic acid
CID 67763614
(2R)-1-(tert-butylamino)-3-(2-methylphenoxy)propan-2-ol
CID 27319600
1-naphthalen-1-yloxy-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 3076139
1-(2-butan-2-ylphenoxy)-3-(2,3,3-trimethylbutan-2-ylamino)propan-2-ol
CID 5000223
1-(3-ethylpentan-3-ylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 65038779
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
1-(2-methylphenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103714693
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
(2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 53471614
1-(2-fluorophenoxy)-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828789
1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114

Frequently Asked Questions

What is the IUPAC name of 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol (CID 22758770) is 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol is CC(C)(NCC(O)COc1cccc2c1C=CC2)c1ccccc1.
What is the InChIKey of 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol?
The InChIKey is NTNCBGSHHBELQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(2,17-10-4-3-5-11-17)22-14-18(23)15-24-20-13-7-9-16-8-6-12-19(16)20/h3-7,9-13,18,22-23H,8,14-15H2,1-2H3.
What are the key properties of 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol?
1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol has a molecular weight of 323.44 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-inden-4-yloxy)-3-(2-phenylpropan-2-ylamino)propan-2-ol is sourced from PubChem (CID 22758770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).