2-propan-2-yloxyethyl 2-amino-6-methylbenzoate

C13H19NO3 — CID 61308511

IUPAC2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCCOC(C)C
InChIInChI=1S/C13H19NO3/c1-9(2)16-7-8-17-13(15)12-10(3)5-4-6-11(12)14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyPOCAUWZSELERMB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.16
Rot. Bonds5

About 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate

2-propan-2-yloxyethyl 2-amino-6-methylbenzoate (PubChem CID 61308511) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
PubChem CID61308511
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-propan-2-yloxyethyl 2-amino-6-methylbenzoate
SMILESCc1cccc(N)c1C(=O)OCCOC(C)C
InChIInChI=1S/C13H19NO3/c1-9(2)16-7-8-17-13(15)12-10(3)5-4-6-11(12)14/h4-6,9H,7-8,14H2,1-3H3
InChIKeyPOCAUWZSELERMB-UHFFFAOYSA-N
XLogP2.16
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.16
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

4-methylpentyl 2-amino-6-methylbenzoate
CID 63446716
2-(2-amino-6-methylbenzoyl)oxybutanoic acid
CID 64661796
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methylbenzoate
CID 61320786
2-(3-bromophenoxy)ethyl 2-amino-6-methylbenzoate
CID 63450116
(2-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321743
2-propan-2-yloxyethyl 3-amino-2,6-difluorobenzoate
CID 79772784
(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736
cyclopropylmethyl 2-amino-6-methylbenzoate
CID 61310985
[1-oxo-1-(pentan-3-ylamino)propan-2-yl] 2-amino-6-methylbenzoate
CID 61323252
2-propan-2-yloxyethyl 2-(2-methylphenyl)acetate
CID 78831089
cyclopentylmethyl 2-amino-6-methylbenzoate
CID 61343221
pyridin-4-ylmethyl 2-amino-6-methylbenzoate
CID 61323419

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate?
The IUPAC name of 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate (CID 61308511) is 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate is Cc1cccc(N)c1C(=O)OCCOC(C)C.
What is the InChIKey of 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate?
The InChIKey is POCAUWZSELERMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(2)16-7-8-17-13(15)12-10(3)5-4-6-11(12)14/h4-6,9H,7-8,14H2,1-3H3.
What are the key properties of 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate?
2-propan-2-yloxyethyl 2-amino-6-methylbenzoate has a molecular weight of 237.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-amino-6-methylbenzoate is sourced from PubChem (CID 61308511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).