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

C10H14FN3O2 — CID 83209734

IUPAC2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
SMILESCC(NCCOC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C10H14FN3O2/c1-7(13-4-5-16-10(12)15)9-3-2-8(11)6-14-9/h2-3,6-7,13H,4-5H2,1H3,(H2,12,15)
InChIKeyAICFWAAYXSWQHQ-UHFFFAOYSA-N
MW227.24 g/mol
LogP0.97
Rot. Bonds5

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

2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate (PubChem CID 83209734) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
PubChem CID83209734
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate
SMILESCC(NCCOC(N)=O)c1ccc(F)cn1
InChIInChI=1S/C10H14FN3O2/c1-7(13-4-5-16-10(12)15)9-3-2-8(11)6-14-9/h2-3,6-7,13H,4-5H2,1H3,(H2,12,15)
InChIKeyAICFWAAYXSWQHQ-UHFFFAOYSA-N
XLogP0.97
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 50.97
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-[1-(5-fluoro-2-pyridinyl)propylamino]ethyl carbamate
CID 112583290
3-[1-(5-fluoro-2-pyridinyl)ethylamino]-2,2-dimethylpropanamide
CID 103917149
1-(5-fluoro-2-pyridinyl)ethylurea
CID 140688353
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
tert-butyl N-[3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 103894808
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
tert-butyl N-[2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propyl]carbamate
CID 104955582
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
2,2-difluoro-3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 104860557

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate?
The IUPAC name of 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate (CID 83209734) is 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate.
What is the SMILES notation for 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate?
The canonical SMILES for 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate is CC(NCCOC(N)=O)c1ccc(F)cn1.
What is the InChIKey of 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate?
The InChIKey is AICFWAAYXSWQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c1-7(13-4-5-16-10(12)15)9-3-2-8(11)6-14-9/h2-3,6-7,13H,4-5H2,1H3,(H2,12,15).
What are the key properties of 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate?
2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate has a molecular weight of 227.24 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-pyridinyl)ethylamino]ethyl carbamate is sourced from PubChem (CID 83209734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).