3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

C14H21NO2 — CID 43499586

IUPAC3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NC(C)CO
InChIInChI=1S/C14H21NO2/c1-8-4-5-12(17)14-11(15-10(3)7-16)6-9(2)13(8)14/h4-5,9-11,15-17H,6-7H2,1-3H3
InChIKeyKYWWAQHUOOCLDJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.22
Rot. Bonds3

About 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol

3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (PubChem CID 43499586) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
PubChem CID43499586
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol
SMILESCc1ccc(O)c2c1C(C)CC2NC(C)CO
InChIInChI=1S/C14H21NO2/c1-8-4-5-12(17)14-11(15-10(3)7-16)6-9(2)13(8)14/h4-5,9-11,15-17H,6-7H2,1-3H3
InChIKeyKYWWAQHUOOCLDJ-UHFFFAOYSA-N
XLogP2.22
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol (CID 43499586) is 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is Cc1ccc(O)c2c1C(C)CC2NC(C)CO.
What is the InChIKey of 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
The InChIKey is KYWWAQHUOOCLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-8-4-5-12(17)14-11(15-10(3)7-16)6-9(2)13(8)14/h4-5,9-11,15-17H,6-7H2,1-3H3.
What are the key properties of 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol?
3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol has a molecular weight of 235.33 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-ylamino)-1,7-dimethyl-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 43499586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).