2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate

C12H15FN2O2 — CID 83209258

IUPAC2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCc2c(F)cccc21
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-9-8(10)4-5-11(9)15-6-7-17-12(14)16/h1-3,11,15H,4-7H2,(H2,14,16)
InChIKeyBAEODBRJGHLAIV-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.50
Rot. Bonds4

About 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate

2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate (PubChem CID 83209258) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
PubChem CID83209258
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCc2c(F)cccc21
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-9-8(10)4-5-11(9)15-6-7-17-12(14)16/h1-3,11,15H,4-7H2,(H2,14,16)
InChIKeyBAEODBRJGHLAIV-UHFFFAOYSA-N
XLogP1.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 79484089
N-(2-butoxyethyl)-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 79484036
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethanesulfonamide
CID 83067155
4-fluoro-N-(3-propoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 83065403
4-fluoro-N-(2-phenylethyl)-2,3-dihydro-1H-inden-1-amine
CID 79483582
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173
4-fluoro-N-(5,5,5-trifluoropentyl)-2,3-dihydro-1H-inden-1-amine
CID 115496239
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280
3-[2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethylsulfanyl]propan-1-ol
CID 103781950

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate (CID 83209258) is 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate is NC(=O)OCCNC1CCc2c(F)cccc21.
What is the InChIKey of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate?
The InChIKey is BAEODBRJGHLAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-3-1-2-9-8(10)4-5-11(9)15-6-7-17-12(14)16/h1-3,11,15H,4-7H2,(H2,14,16).
What are the key properties of 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate?
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate has a molecular weight of 238.26 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate is sourced from PubChem (CID 83209258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).