2-(4-aminophenoxy)ethyl-methylcarbamic acid

C10H14N2O3 — CID 67422693

IUPAC2-(4-aminophenoxy)ethyl-methylcarbamic acid
SMILESCN(CCOc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-12(10(13)14)6-7-15-9-4-2-8(11)3-5-9/h2-5H,6-7,11H2,1H3,(H,13,14)
InChIKeyIJFOOMIIRICWJM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.26
Rot. Bonds4

About 2-(4-aminophenoxy)ethyl-methylcarbamic acid

2-(4-aminophenoxy)ethyl-methylcarbamic acid (PubChem CID 67422693) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-aminophenoxy)ethyl-methylcarbamic acid.

Molecular Properties

Compound Name2-(4-aminophenoxy)ethyl-methylcarbamic acid
PubChem CID67422693
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-aminophenoxy)ethyl-methylcarbamic acid
SMILESCN(CCOc1ccc(N)cc1)C(=O)O
InChIInChI=1S/C10H14N2O3/c1-12(10(13)14)6-7-15-9-4-2-8(11)3-5-9/h2-5H,6-7,11H2,1H3,(H,13,14)
InChIKeyIJFOOMIIRICWJM-UHFFFAOYSA-N
XLogP1.26
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenoxy)ethyl-methylcarbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61127921
2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
CID 146277523
2-(4-aminophenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 119695381
3-(4-aminophenoxy)-N-benzyl-N-methylpropanamide
CID 61089874
2-(4-aminophenoxy)-N-(2-methoxyethyl)-N-methylacetamide
CID 61126914
4-amino-2-chloro-N-methyl-N-(2-phenoxyethyl)benzamide
CID 61114074
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
2-[2-(4-aminophenoxy)ethyl-methylamino]-N-propylacetamide
CID 61450185
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
4-[2-(4-aminophenoxy)ethoxy]benzoic acid
CID 82147710
4-(4-aminophenoxy)butanoic acid
CID 14451763
4-[4-(dimethylamino)butoxy]aniline
CID 11458449

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)ethyl-methylcarbamic acid?
The IUPAC name of 2-(4-aminophenoxy)ethyl-methylcarbamic acid (CID 67422693) is 2-(4-aminophenoxy)ethyl-methylcarbamic acid.
What is the SMILES notation for 2-(4-aminophenoxy)ethyl-methylcarbamic acid?
The canonical SMILES for 2-(4-aminophenoxy)ethyl-methylcarbamic acid is CN(CCOc1ccc(N)cc1)C(=O)O.
What is the InChIKey of 2-(4-aminophenoxy)ethyl-methylcarbamic acid?
The InChIKey is IJFOOMIIRICWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12(10(13)14)6-7-15-9-4-2-8(11)3-5-9/h2-5H,6-7,11H2,1H3,(H,13,14).
What are the key properties of 2-(4-aminophenoxy)ethyl-methylcarbamic acid?
2-(4-aminophenoxy)ethyl-methylcarbamic acid has a molecular weight of 210.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)ethyl-methylcarbamic acid is sourced from PubChem (CID 67422693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).