1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

C16H25NO — CID 66037730

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-12(2)17-11-16(3,18)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,17-18H,4-6,10-11H2,1-3H3
InChIKeyVGLCSVDSGLOHJV-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.47
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol

1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 66037730) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID66037730
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-12(2)17-11-16(3,18)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,17-18H,4-6,10-11H2,1-3H3
InChIKeyVGLCSVDSGLOHJV-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-2-amine
CID 43163778
1-cyclobutyl-3-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-2-ol
CID 113490172
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethyl-N-propylbutan-1-amine
CID 83159671
2-(2,3-dihydro-1H-inden-5-ylmethyl)-2,3-dimethylbutan-1-ol
CID 83150043
2-(2,3-dihydro-1H-inden-5-ylmethyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159396
4-methoxy-2-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 103784307
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 103838824
3,3-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 116925103
1-(2,3-dihydro-1H-inden-5-ylmethylamino)-2-(4-propan-2-ylcyclohexyl)propan-2-ol
CID 166351066
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116927629
N-propan-2-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-amine
CID 65305272
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol (CID 66037730) is 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is VGLCSVDSGLOHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)17-11-16(3,18)10-13-7-8-14-5-4-6-15(14)9-13/h7-9,12,17-18H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol?
1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66037730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).