1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol

C15H23NO2 — CID 106348642

IUPAC1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)C(CCO)NC1CCc2cc(O)ccc21
InChIInChI=1S/C15H23NO2/c1-10(2)14(7-8-17)16-15-6-3-11-9-12(18)4-5-13(11)15/h4-5,9-10,14-18H,3,6-8H2,1-2H3
InChIKeyMPCVYAWLZZQMQY-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.38
Rot. Bonds5

About 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol

1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol (PubChem CID 106348642) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
PubChem CID106348642
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol
SMILESCC(C)C(CCO)NC1CCc2cc(O)ccc21
InChIInChI=1S/C15H23NO2/c1-10(2)14(7-8-17)16-15-6-3-11-9-12(18)4-5-13(11)15/h4-5,9-10,14-18H,3,6-8H2,1-2H3
InChIKeyMPCVYAWLZZQMQY-UHFFFAOYSA-N
XLogP2.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-4-methylpentan-1-ol
CID 106348823
8-[(1-hydroxy-3-methylbutan-2-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090991
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]butan-1-ol
CID 81338301
1-(1-cyclohexylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682320
1-(octan-4-ylamino)-2,3-dihydro-1H-inden-5-ol
CID 106023518
2-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propane-1,3-diol
CID 65310523
1-(methoxyamino)-2,3-dihydro-1H-inden-5-ol
CID 103847278
1-[1-(2,6-difluorophenyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682182
1-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2,3-dihydro-1H-inden-5-ol
CID 107862522
5-bromo-N-(2-methylpentan-3-yl)-2,3-dihydro-1H-inden-1-amine
CID 63455836
1-(1-thiophen-3-ylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682339
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107681780

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol (CID 106348642) is 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol is CC(C)C(CCO)NC1CCc2cc(O)ccc21.
What is the InChIKey of 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is MPCVYAWLZZQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)14(7-8-17)16-15-6-3-11-9-12(18)4-5-13(11)15/h4-5,9-10,14-18H,3,6-8H2,1-2H3.
What are the key properties of 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol?
1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 249.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-4-methylpentan-3-yl)amino]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 106348642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).