2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate

C11H15FN2O3 — CID 83210276

IUPAC2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate
SMILESCC(NCCOC(N)=O)c1cc(F)ccc1O
InChIInChI=1S/C11H15FN2O3/c1-7(14-4-5-17-11(13)16)9-6-8(12)2-3-10(9)15/h2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16)
InChIKeyMOVQZNLASSKFRK-UHFFFAOYSA-N
MW242.25 g/mol
LogP1.28
Rot. Bonds5

About 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate

2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate (PubChem CID 83210276) has the molecular formula C11H15FN2O3 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate
PubChem CID83210276
Molecular FormulaC11H15FN2O3
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate
SMILESCC(NCCOC(N)=O)c1cc(F)ccc1O
InChIInChI=1S/C11H15FN2O3/c1-7(14-4-5-17-11(13)16)9-6-8(12)2-3-10(9)15/h2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16)
InChIKeyMOVQZNLASSKFRK-UHFFFAOYSA-N
XLogP1.28
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate (CID 83210276) is 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate is CC(NCCOC(N)=O)c1cc(F)ccc1O.
What is the InChIKey of 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate?
The InChIKey is MOVQZNLASSKFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3/c1-7(14-4-5-17-11(13)16)9-6-8(12)2-3-10(9)15/h2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16).
What are the key properties of 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate?
2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate has a molecular weight of 242.25 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-hydroxyphenyl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83210276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).