(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol

C16H25NO3 — CID 2232033

IUPAC(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCOCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO3/c1-13(18)12-17-7-8-19-9-10-20-16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,17-18H,2-4,7-10,12H2,1H3/t13-/m1/s1
InChIKeyRIKBNNLIWJTPSS-CYBMUJFWSA-N
MW279.38 g/mol
LogP1.54
Rot. Bonds9

About (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol

(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol (PubChem CID 2232033) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol
PubChem CID2232033
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol
SMILESC[C@@H](O)CNCCOCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO3/c1-13(18)12-17-7-8-19-9-10-20-16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,17-18H,2-4,7-10,12H2,1H3/t13-/m1/s1
InChIKeyRIKBNNLIWJTPSS-CYBMUJFWSA-N
XLogP1.54
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
CID 82353891
1-(2,3-dihydro-1H-inden-5-yloxy)-3-(propylamino)propan-2-ol
CID 43166218
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propylpropan-1-amine
CID 62459278
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
2-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethylamino]acetic acid
CID 94689863
methyl N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]carbamate
CID 113101472
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol?
The IUPAC name of (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol (CID 2232033) is (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol is C[C@@H](O)CNCCOCCOc1ccc2c(c1)CCC2.
What is the InChIKey of (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol?
The InChIKey is RIKBNNLIWJTPSS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25NO3/c1-13(18)12-17-7-8-19-9-10-20-16-6-5-14-3-2-4-15(14)11-16/h5-6,11,13,17-18H,2-4,7-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol?
(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol has a molecular weight of 279.38 g/mol, XLogP of 1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol is sourced from PubChem (CID 2232033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).