propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate

C15H23NO3 — CID 65435400

IUPACpropyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate
SMILESCCCOC(=O)c1ccc(COC(C)C)c(C)c1N
InChIInChI=1S/C15H23NO3/c1-5-8-18-15(17)13-7-6-12(9-19-10(2)3)11(4)14(13)16/h6-7,10H,5,8-9,16H2,1-4H3
InChIKeyMPQILUWLTBMINK-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.07
Rot. Bonds6

About propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate

propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate (PubChem CID 65435400) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate.

Molecular Properties

Compound Namepropyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate
PubChem CID65435400
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namepropyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate
SMILESCCCOC(=O)c1ccc(COC(C)C)c(C)c1N
InChIInChI=1S/C15H23NO3/c1-5-8-18-15(17)13-7-6-12(9-19-10(2)3)11(4)14(13)16/h6-7,10H,5,8-9,16H2,1-4H3
InChIKeyMPQILUWLTBMINK-UHFFFAOYSA-N
XLogP3.07
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate
CID 65435401
propyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
CID 79082161
ethyl 2-amino-4-(2-ethoxyethoxymethyl)-3-methylbenzoate
CID 79071349
propyl 2-amino-3-methyl-4-(trifluoromethyl)benzoate
CID 80713538
propan-2-yl 2-amino-3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 79547960
tetrapropyl naphthalene-1,4,5,8-tetracarboxylate
CID 21270260
propyl 2-amino-3-methyl-4-(2,2,2-trifluoroethoxy)benzoate
CID 63101993
propyl 4-amino-2-(3-methylbutan-2-yl)-1,3-dihydroisoindole-5-carboxylate
CID 63101817
propyl 2-amino-4-chloro-3-(methoxymethyl)benzoate
CID 80712724
dipropyl naphthalene-1,4-dicarboxylate
CID 139070160
propyl 2,5-diethylbenzoate
CID 22448167
propyl 4-amino-5-propan-2-ylthiophene-3-carboxylate
CID 68551473

Frequently Asked Questions

What is the IUPAC name of propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate?
The IUPAC name of propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate (CID 65435400) is propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate.
What is the SMILES notation for propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate?
The canonical SMILES for propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate is CCCOC(=O)c1ccc(COC(C)C)c(C)c1N.
What is the InChIKey of propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate?
The InChIKey is MPQILUWLTBMINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-8-18-15(17)13-7-6-12(9-19-10(2)3)11(4)14(13)16/h6-7,10H,5,8-9,16H2,1-4H3.
What are the key properties of propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate?
propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate has a molecular weight of 265.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-amino-3-methyl-4-(propan-2-yloxymethyl)benzoate is sourced from PubChem (CID 65435400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).