2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate

C17H19NO3 — CID 30764598

IUPAC2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate
SMILESCc1cccc(OCCOC(=O)c2cccc(C)c2N)c1
InChIInChI=1S/C17H19NO3/c1-12-5-3-7-14(11-12)20-9-10-21-17(19)15-8-4-6-13(2)16(15)18/h3-8,11H,9-10,18H2,1-2H3
InChIKeySWYXRXYPRGOCSP-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.12
Rot. Bonds5

About 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate

2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate (PubChem CID 30764598) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate.

Molecular Properties

Compound Name2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate
PubChem CID30764598
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate
SMILESCc1cccc(OCCOC(=O)c2cccc(C)c2N)c1
InChIInChI=1S/C17H19NO3/c1-12-5-3-7-14(11-12)20-9-10-21-17(19)15-8-4-6-13(2)16(15)18/h3-8,11H,9-10,18H2,1-2H3
InChIKeySWYXRXYPRGOCSP-UHFFFAOYSA-N
XLogP3.12
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
2-(3-methylphenoxy)ethyl 2-methyl-3-nitrobenzoate
CID 2564217
2-(3-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431953
3-(2-amino-3-methylbenzoyl)oxypropanoic acid
CID 63949943
2-(3-methylphenoxy)ethyl butanoate
CID 13247559
2-(3-methylphenoxy)ethyl 1-methylpyrrole-2-carboxylate
CID 55307618
5-hydroxypentyl 2-amino-3-methylbenzoate
CID 62229599
6-hydroxyhexyl 2-amino-3-methylbenzoate
CID 103925149
2-(3-methylphenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386133
2-(3-methylphenoxy)ethyl 4-methyl-3-nitrobenzoate
CID 2628355
2-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]aniline
CID 79147343
pyrimidin-2-ylmethyl 2-amino-3-methylbenzoate
CID 62700152

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate?
The IUPAC name of 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate (CID 30764598) is 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate.
What is the SMILES notation for 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate?
The canonical SMILES for 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate is Cc1cccc(OCCOC(=O)c2cccc(C)c2N)c1.
What is the InChIKey of 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate?
The InChIKey is SWYXRXYPRGOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-5-3-7-14(11-12)20-9-10-21-17(19)15-8-4-6-13(2)16(15)18/h3-8,11H,9-10,18H2,1-2H3.
What are the key properties of 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate?
2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate has a molecular weight of 285.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)ethyl 2-amino-3-methylbenzoate is sourced from PubChem (CID 30764598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).