[3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate

C15H21NO2 — CID 54145146

IUPAC[3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(C(C)(C)N)c1CC
InChIInChI=1S/C15H21NO2/c1-6-11-12(15(4,5)16)8-7-9-13(11)18-14(17)10(2)3/h7-9H,2,6,16H2,1,3-5H3
InChIKeyODVOUZJHANGTKM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.92
Rot. Bonds4

About [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate

[3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate (PubChem CID 54145146) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate
PubChem CID54145146
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name[3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)Oc1cccc(C(C)(C)N)c1CC
InChIInChI=1S/C15H21NO2/c1-6-11-12(15(4,5)16)8-7-9-13(11)18-14(17)10(2)3/h7-9H,2,6,16H2,1,3-5H3
InChIKeyODVOUZJHANGTKM-UHFFFAOYSA-N
XLogP2.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[2,3-bis(2-methylbutan-2-yl)phenyl] 2-methylprop-2-enoate
CID 175103447
(2-ethyl-3-phosphonooxyphenyl) 2-methylprop-2-enoate
CID 151945597
[3-(2-chloropropan-2-yl)-2-ethylphenyl] prop-2-enoate
CID 54355967
tert-butyl 2-amino-3-(2-methylprop-2-enoyloxy)benzoate
CID 118047130
(10-ethylanthracen-9-yl) 2-methylprop-2-enoate
CID 123636000
[2-[1,1,1,3,3,3-hexafluoro-2-[2-(2-methylprop-2-enoyloxy)phenyl]propan-2-yl]phenyl] 2-methylprop-2-enoate
CID 22141672
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
[2-(1,1-dibromononyl)phenyl] 2-methylprop-2-enoate
CID 70386256
(2-ethenylphenyl) 2-methylprop-2-enoate
CID 19607397
2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 117294143
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
(2-propylphenyl) 2-methylprop-2-enoate
CID 22709190

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate (CID 54145146) is [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate is C=C(C)C(=O)Oc1cccc(C(C)(C)N)c1CC.
What is the InChIKey of [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate?
The InChIKey is ODVOUZJHANGTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-6-11-12(15(4,5)16)8-7-9-13(11)18-14(17)10(2)3/h7-9H,2,6,16H2,1,3-5H3.
What are the key properties of [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate?
[3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate has a molecular weight of 247.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopropan-2-yl)-2-ethylphenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 54145146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).