1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea

C10H12F3N3O2 — CID 113463029

IUPAC1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCOc1ccc(N)c(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O2/c1-18-6-2-3-7(14)8(4-6)16-9(17)15-5-10(11,12)13/h2-4H,5,14H2,1H3,(H2,15,16,17)
InChIKeyHMEGKNSHIJCWTA-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.96
Rot. Bonds3

About 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea

1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 113463029) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID113463029
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
SMILESCOc1ccc(N)c(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H12F3N3O2/c1-18-6-2-3-7(14)8(4-6)16-9(17)15-5-10(11,12)13/h2-4H,5,14H2,1H3,(H2,15,16,17)
InChIKeyHMEGKNSHIJCWTA-UHFFFAOYSA-N
XLogP1.96
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113462931
3-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428951
N-(2-amino-5-methoxyphenyl)-2-tert-butylsulfanylacetamide
CID 63257845
1-(2-amino-4-methoxyphenyl)-3-propylurea
CID 28785607
N-(2-amino-5-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 63257795
N-[4-methoxy-3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
CID 72854483
N-(2-amino-5-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide;hydrochloride
CID 119421357
4-methoxy-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515270
1-(3-bromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115870397
1-(2,4-dibromo-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 103412409
4-methoxy-2-N-(2,2,3,3-tetrafluoropropyl)benzene-1,2-diamine
CID 106290004
2-(2-amino-5-methoxyanilino)ethylurea
CID 83116899

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea (CID 113463029) is 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea is COc1ccc(N)c(NC(=O)NCC(F)(F)F)c1.
What is the InChIKey of 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is HMEGKNSHIJCWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c1-18-6-2-3-7(14)8(4-6)16-9(17)15-5-10(11,12)13/h2-4H,5,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea?
1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 263.22 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-methoxyphenyl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 113463029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).