(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol

C13H20N2O — CID 66510884

IUPAC(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
SMILESCC(C)N1CCc2cc([C@@H](N)CO)ccc21
InChIInChI=1S/C13H20N2O/c1-9(2)15-6-5-11-7-10(12(14)8-16)3-4-13(11)15/h3-4,7,9,12,16H,5-6,8,14H2,1-2H3/t12-/m0/s1
InChIKeyKLMCDBCFNGKSJG-LBPRGKRZSA-N
MW220.32 g/mol
LogP1.45
Rot. Bonds3

About (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol

(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol (PubChem CID 66510884) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
PubChem CID66510884
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol
SMILESCC(C)N1CCc2cc([C@@H](N)CO)ccc21
InChIInChI=1S/C13H20N2O/c1-9(2)15-6-5-11-7-10(12(14)8-16)3-4-13(11)15/h3-4,7,9,12,16H,5-6,8,14H2,1-2H3/t12-/m0/s1
InChIKeyKLMCDBCFNGKSJG-LBPRGKRZSA-N
XLogP1.45
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1-propan-2-yl-2,3-dihydroindol-5-yl)methanol
CID 115114830
2-amino-3-(1-propan-2-yl-2,3-dihydroindol-5-yl)propanoic acid
CID 170880224
1-propan-2-yl-2,3-dihydroindol-6-ol
CID 84732134
2-amino-2-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanol
CID 77130261
2-amino-3-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)propanoic acid
CID 170880165
2-amino-2-(1,3-dihydro-2-benzofuran-5-yl)ethanol
CID 82600093
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(2R)-2-amino-2-(3-nitro-4-piperidin-1-ylphenyl)ethanol
CID 66515936
2-(1-cyclohexyl-2,3-dihydroindol-5-yl)propan-1-ol
CID 117118471
2-[1-(cyclopropylmethyl)-2,3-dihydroindol-5-yl]propan-1-ol
CID 117118731
1-propan-2-yl-3,5-dihydro-2H-indol-5-ide;yttrium
CID 170523083
1-[1-[bis(4-fluorophenyl)methyl]-2,3-dihydroindol-5-yl]propan-1-ol
CID 10738495

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The IUPAC name of (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol (CID 66510884) is (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol is CC(C)N1CCc2cc([C@@H](N)CO)ccc21.
What is the InChIKey of (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
The InChIKey is KLMCDBCFNGKSJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)15-6-5-11-7-10(12(14)8-16)3-4-13(11)15/h3-4,7,9,12,16H,5-6,8,14H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol?
(2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol has a molecular weight of 220.32 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(1-propan-2-yl-2,3-dihydroindol-5-yl)ethanol is sourced from PubChem (CID 66510884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).