1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

C13H18F3N3O2 — CID 83036718

IUPAC1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOCCNCCNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-21-9-8-17-6-7-18-12(20)19-11-5-3-2-4-10(11)13(14,15)16/h2-5,17H,6-9H2,1H3,(H2,18,19,20)
InChIKeyCEYYDKLJFUWACY-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.06
Rot. Bonds7

About 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 83036718) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID83036718
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCOCCNCCNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-21-9-8-17-6-7-18-12(20)19-11-5-3-2-4-10(11)13(14,15)16/h2-5,17H,6-9H2,1H3,(H2,18,19,20)
InChIKeyCEYYDKLJFUWACY-UHFFFAOYSA-N
XLogP2.06
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
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-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-(2-methoxyethyl)-3-[4-methoxy-2-(trifluoromethyl)phenyl]urea
CID 47223994
3-[2-(4-methoxyphenoxy)ethylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109031142
2-(2-methoxyethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 79282836
1-[2-(4-tert-butylphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112972906
2-(2-methoxyethylamino)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 116591610
1-(5-hydroxypentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 108887689
1-(3-hydroxy-4,4-dimethylpentyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90523655
1-(1-amino-3-methoxypropan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 106181144
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297
4-(2,2-dimethylpropanoylamino)-N-[2-[[2-(trifluoromethyl)phenyl]carbamoylamino]ethyl]benzamide
CID 121063372
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 83036718) is 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is COCCNCCNC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is CEYYDKLJFUWACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-21-9-8-17-6-7-18-12(20)19-11-5-3-2-4-10(11)13(14,15)16/h2-5,17H,6-9H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 305.30 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethylamino)ethyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 83036718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).