2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate

C12H16N2O3 — CID 107682607

IUPAC2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCc2cc(O)ccc21
InChIInChI=1S/C12H16N2O3/c13-12(16)17-6-5-14-11-4-1-8-7-9(15)2-3-10(8)11/h2-3,7,11,14-15H,1,4-6H2,(H2,13,16)
InChIKeyWSFUTGKGTDBMFE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.06
Rot. Bonds4

About 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate

2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate (PubChem CID 107682607) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
PubChem CID107682607
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCc2cc(O)ccc21
InChIInChI=1S/C12H16N2O3/c13-12(16)17-6-5-14-11-4-1-8-7-9(15)2-3-10(8)11/h2-3,7,11,14-15H,1,4-6H2,(H2,13,16)
InChIKeyWSFUTGKGTDBMFE-UHFFFAOYSA-N
XLogP1.06
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
CID 107682295
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 83209258
1-[2-(trifluoromethylsulfanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 114187434
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345
2-[2-[(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]acetamide
CID 106235285
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl]-N-methylcarbamate
CID 107682749
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
N,N-diethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 107682624
1-(2-bromoprop-2-enylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682656
1-[2-(oxolan-2-yl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682224

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate (CID 107682607) is 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate is NC(=O)OCCNC1CCc2cc(O)ccc21.
What is the InChIKey of 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate?
The InChIKey is WSFUTGKGTDBMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-12(16)17-6-5-14-11-4-1-8-7-9(15)2-3-10(8)11/h2-3,7,11,14-15H,1,4-6H2,(H2,13,16).
What are the key properties of 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate?
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate has a molecular weight of 236.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate is sourced from PubChem (CID 107682607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).