1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea

C13H20FN3O2 — CID 112970330

IUPAC1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESCN(C)CCNC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C13H20FN3O2/c1-17(2)8-6-15-13(18)16-7-9-19-12-5-3-4-11(14)10-12/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyNBFABPMDFJCJIW-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.07
Rot. Bonds7

About 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea

1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea (PubChem CID 112970330) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
PubChem CID112970330
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
SMILESCN(C)CCNC(=O)NCCOc1cccc(F)c1
InChIInChI=1S/C13H20FN3O2/c1-17(2)8-6-15-13(18)16-7-9-19-12-5-3-4-11(14)10-12/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18)
InChIKeyNBFABPMDFJCJIW-UHFFFAOYSA-N
XLogP1.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.07
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

1-[2-(dimethylamino)ethyl]-3-[[2-(3-fluorophenoxy)acetyl]amino]thiourea
CID 8654435
methyl N-[2-(3-fluorophenoxy)ethyl]carbamate
CID 110477679
1-(2-ethyl-2-hydroxybutyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 110910257
1-[2-(3-fluorophenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504937
1-N,4-N-bis[2-(3-fluorophenoxy)ethyl]benzene-1,4-dicarboxamide
CID 166196673
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970338
1-[4-(diethylamino)phenyl]-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970404
2-chloro-2-fluoro-N-[2-(3-fluorophenoxy)ethyl]acetamide
CID 166427822
ethyl 7-[2-(3-fluorophenoxy)ethylcarbamoylamino]heptanoate
CID 55809428
2-amino-N-[2-(3-fluorophenoxy)ethyl]-3-methylbutanamide
CID 110481408
1-(4-bromo-2-methylphenyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112970416
N-[2-(3-fluorophenoxy)ethyl]-2-phenylacetamide
CID 110483020

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea (CID 112970330) is 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea is CN(C)CCNC(=O)NCCOc1cccc(F)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
The InChIKey is NBFABPMDFJCJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-17(2)8-6-15-13(18)16-7-9-19-12-5-3-4-11(14)10-12/h3-5,10H,6-9H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea?
1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea has a molecular weight of 269.32 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[2-(3-fluorophenoxy)ethyl]urea is sourced from PubChem (CID 112970330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).