(1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol

C12H17NO — CID 12987108

IUPAC(1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)c1cccc2c1[C@H](N)[C@H](O)C2
InChIInChI=1S/C12H17NO/c1-7(2)9-5-3-4-8-6-10(14)12(13)11(8)9/h3-5,7,10,12,14H,6,13H2,1-2H3/t10-,12-/m1/s1
InChIKeyLFJCMAIRHIWPTC-ZYHUDNBSSA-N
MW191.27 g/mol
LogP1.73
Rot. Bonds1

About (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol (PubChem CID 12987108) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol
PubChem CID12987108
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol
SMILESCC(C)c1cccc2c1[C@H](N)[C@H](O)C2
InChIInChI=1S/C12H17NO/c1-7(2)9-5-3-4-8-6-10(14)12(13)11(8)9/h3-5,7,10,12,14H,6,13H2,1-2H3/t10-,12-/m1/s1
InChIKeyLFJCMAIRHIWPTC-ZYHUDNBSSA-N
XLogP1.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol (CID 12987108) is (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol is CC(C)c1cccc2c1[C@H](N)[C@H](O)C2.
What is the InChIKey of (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol?
The InChIKey is LFJCMAIRHIWPTC-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H17NO/c1-7(2)9-5-3-4-8-6-10(14)12(13)11(8)9/h3-5,7,10,12,14H,6,13H2,1-2H3/t10-,12-/m1/s1.
What are the key properties of (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol has a molecular weight of 191.27 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-7-propan-2-yl-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 12987108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).