2-amino-5-(3-propan-2-ylphenoxy)benzoic acid

C16H17NO3 — CID 60986562

IUPAC2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
SMILESCC(C)c1cccc(Oc2ccc(N)c(C(=O)O)c2)c1
InChIInChI=1S/C16H17NO3/c1-10(2)11-4-3-5-12(8-11)20-13-6-7-15(17)14(9-13)16(18)19/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyWKHFKRYUZGSYQH-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.88
Rot. Bonds4

About 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid

2-amino-5-(3-propan-2-ylphenoxy)benzoic acid (PubChem CID 60986562) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
PubChem CID60986562
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-amino-5-(3-propan-2-ylphenoxy)benzoic acid
SMILESCC(C)c1cccc(Oc2ccc(N)c(C(=O)O)c2)c1
InChIInChI=1S/C16H17NO3/c1-10(2)11-4-3-5-12(8-11)20-13-6-7-15(17)14(9-13)16(18)19/h3-10H,17H2,1-2H3,(H,18,19)
InChIKeyWKHFKRYUZGSYQH-UHFFFAOYSA-N
XLogP3.88
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-5-(3-propan-2-ylphenoxy)benzoic 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

1-[2-amino-5-(3-propan-2-ylphenoxy)phenyl]ethanone
CID 104613187
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
1,3-bis(3-propan-2-ylphenoxy)benzene
CID 90260311
5-(4-tert-butylphenoxy)-2-carbamoylbenzoic acid;3-propan-2-ylaniline
CID 168918435
1-(2-amino-5-phenoxyphenyl)-3-methylbutan-1-one
CID 83988037
3-[3-(3-propan-2-ylphenoxy)phenyl]prop-2-enoic acid
CID 77013834
methyl 2-amino-5-(3-methoxyphenoxy)benzoate
CID 61313873
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
2-amino-5-(4-iodophenoxy)benzoic acid
CID 60987724
2-amino-5-(4-bromo-3-methylphenoxy)benzoic acid
CID 83134573
2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid?
The IUPAC name of 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid (CID 60986562) is 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid.
What is the SMILES notation for 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid?
The canonical SMILES for 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid is CC(C)c1cccc(Oc2ccc(N)c(C(=O)O)c2)c1.
What is the InChIKey of 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid?
The InChIKey is WKHFKRYUZGSYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10(2)11-4-3-5-12(8-11)20-13-6-7-15(17)14(9-13)16(18)19/h3-10H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid?
2-amino-5-(3-propan-2-ylphenoxy)benzoic acid has a molecular weight of 271.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-propan-2-ylphenoxy)benzoic acid is sourced from PubChem (CID 60986562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).