1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol

C16H25NO2 — CID 12912515

IUPAC1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NC(C)C(O)COc1cccc2c1CCC2
InChIInChI=1S/C16H25NO2/c1-11(2)17-12(3)15(18)10-19-16-9-5-7-13-6-4-8-14(13)16/h5,7,9,11-12,15,17-18H,4,6,8,10H2,1-3H3
InChIKeyYKJUOGSGKMMDTL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol

1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol (PubChem CID 12912515) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol
PubChem CID12912515
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol
SMILESCC(C)NC(C)C(O)COc1cccc2c1CCC2
InChIInChI=1S/C16H25NO2/c1-11(2)17-12(3)15(18)10-19-16-9-5-7-13-6-4-8-14(13)16/h5,7,9,11-12,15,17-18H,4,6,8,10H2,1-3H3
InChIKeyYKJUOGSGKMMDTL-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol
CID 14500432
2-(2,3-dihydro-1H-inden-4-yloxy)-1-pyridin-2-ylethanol;hydrobromide
CID 14500433
5-[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 117068983
1-(2-ethylhexylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 154132610
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
1-(2,3-dihydro-1H-inden-4-yloxy)-3-morpholin-4-ylpropan-2-ol
CID 3051477
2-[2-[2-hydroxy-3-(propan-2-ylamino)butoxy]phenoxy]-N-methylacetamide;hydrochloride
CID 45259676
methanamine;1-(2-methoxyphenoxy)-3-(propan-2-ylamino)butan-2-ol;oxalic acid
CID 70043339
1-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethanol
CID 109416099
5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
4-[2-(hydroxymethyl)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butan-2-ol
CID 70185548
oxalic acid;(2R,3S)-1-phenoxy-3-(propan-2-ylamino)butan-2-ol
CID 90675134

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol (CID 12912515) is 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol is CC(C)NC(C)C(O)COc1cccc2c1CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol?
The InChIKey is YKJUOGSGKMMDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)17-12(3)15(18)10-19-16-9-5-7-13-6-4-8-14(13)16/h5,7,9,11-12,15,17-18H,4,6,8,10H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol?
1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-4-yloxy)-3-(propan-2-ylamino)butan-2-ol is sourced from PubChem (CID 12912515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).