[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid

C15H15FN2O3 — CID 68661499

IUPAC[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid
SMILESCc1ccc(F)cc1Oc1ccc(N)c(N(C)C(=O)O)c1
InChIInChI=1S/C15H15FN2O3/c1-9-3-4-10(16)7-14(9)21-11-5-6-12(17)13(8-11)18(2)15(19)20/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyKRWCEUVDVIYKCQ-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.62
Rot. Bonds3

About [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid

[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid (PubChem CID 68661499) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid
PubChem CID68661499
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid
SMILESCc1ccc(F)cc1Oc1ccc(N)c(N(C)C(=O)O)c1
InChIInChI=1S/C15H15FN2O3/c1-9-3-4-10(16)7-14(9)21-11-5-6-12(17)13(8-11)18(2)15(19)20/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyKRWCEUVDVIYKCQ-UHFFFAOYSA-N
XLogP3.62
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-5-(3-methoxy-5-methylphenoxy)phenyl]-methylcarbamic acid
CID 68662590
4-(2,5-difluorophenoxy)-2-methylaniline
CID 63268652
3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102982925
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
3-(4-fluorophenoxy)-4-methylaniline
CID 102167590
6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102980224
methyl 4-amino-3-(5-fluoro-2-methylphenoxy)benzoate
CID 102982938
ethyl 2-amino-5-(2,5-difluorophenoxy)benzoate
CID 63269663
[2-bromo-4-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 114060424
[2-amino-5-[2-(3-amino-4-tert-butylphenyl)ethoxy]phenyl]-methylcarbamic acid
CID 148921406
2-(4-fluorophenoxy)-4-methylaniline
CID 26189590
2-(3,5-dimethylphenoxy)-4-fluoroaniline
CID 62377840

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid?
The IUPAC name of [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid (CID 68661499) is [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid.
What is the SMILES notation for [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid?
The canonical SMILES for [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid is Cc1ccc(F)cc1Oc1ccc(N)c(N(C)C(=O)O)c1.
What is the InChIKey of [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid?
The InChIKey is KRWCEUVDVIYKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9-3-4-10(16)7-14(9)21-11-5-6-12(17)13(8-11)18(2)15(19)20/h3-8H,17H2,1-2H3,(H,19,20).
What are the key properties of [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid?
[2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid has a molecular weight of 290.29 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(5-fluoro-2-methylphenoxy)phenyl]-methylcarbamic acid is sourced from PubChem (CID 68661499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).