[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid

C11H13F3N2O3 — CID 22317734

IUPAC[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid
SMILESCCCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-2-3-19-9-5-8(16-10(17)18)7(15)4-6(9)11(12,13)14/h4-5,16H,2-3,15H2,1H3,(H,17,18)
InChIKeyKSRVRLOEVOBGFA-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.17
Rot. Bonds4

About [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid

[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 22317734) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid
PubChem CID22317734
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid
SMILESCCCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3/c1-2-3-19-9-5-8(16-10(17)18)7(15)4-6(9)11(12,13)14/h4-5,16H,2-3,15H2,1H3,(H,17,18)
InChIKeyKSRVRLOEVOBGFA-UHFFFAOYSA-N
XLogP3.17
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid (CID 22317734) is [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid is CCCOc1cc(NC(=O)O)c(N)cc1C(F)(F)F.
What is the InChIKey of [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is KSRVRLOEVOBGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-2-3-19-9-5-8(16-10(17)18)7(15)4-6(9)11(12,13)14/h4-5,16H,2-3,15H2,1H3,(H,17,18).
What are the key properties of [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid?
[2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 278.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-propoxy-4-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 22317734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).