1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol

C12H18N2O — CID 171813583

IUPAC1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cccc2c1CCN2
InChIInChI=1S/C12H18N2O/c1-12(2,15)8-14-11-5-3-4-10-9(11)6-7-13-10/h3-5,13-15H,6-8H2,1-2H3
InChIKeyYLSIJCYKZNSHHV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol

1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol (PubChem CID 171813583) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol
PubChem CID171813583
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cccc2c1CCN2
InChIInChI=1S/C12H18N2O/c1-12(2,15)8-14-11-5-3-4-10-9(11)6-7-13-10/h3-5,13-15H,6-8H2,1-2H3
InChIKeyYLSIJCYKZNSHHV-UHFFFAOYSA-N
XLogP1.84
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol (CID 171813583) is 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol is CC(C)(O)CNc1cccc2c1CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol?
The InChIKey is YLSIJCYKZNSHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,15)8-14-11-5-3-4-10-9(11)6-7-13-10/h3-5,13-15H,6-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol?
1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol has a molecular weight of 206.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-4-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 171813583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).