propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate

C15H24N2O2 — CID 145029330

IUPACpropan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate
SMILESCNCC(c1ccc(C(=O)OC(C)C)cc1)N(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)19-15(18)13-8-6-12(7-9-13)14(10-16-3)17(4)5/h6-9,11,14,16H,10H2,1-5H3
InChIKeyVCUSNGXXNGDJAO-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.07
Rot. Bonds6

About propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate

propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate (PubChem CID 145029330) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate
PubChem CID145029330
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namepropan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate
SMILESCNCC(c1ccc(C(=O)OC(C)C)cc1)N(C)C
InChIInChI=1S/C15H24N2O2/c1-11(2)19-15(18)13-8-6-12(7-9-13)14(10-16-3)17(4)5/h6-9,11,14,16H,10H2,1-5H3
InChIKeyVCUSNGXXNGDJAO-UHFFFAOYSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67327870
propan-2-yl 4-(hydroxymethyl)benzoate
CID 78907782
propan-2-yl 4-(4-propan-2-yloxycarbonylphenoxy)benzoate
CID 142863752
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate?
The IUPAC name of propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate (CID 145029330) is propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate.
What is the SMILES notation for propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate?
The canonical SMILES for propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate is CNCC(c1ccc(C(=O)OC(C)C)cc1)N(C)C.
What is the InChIKey of propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate?
The InChIKey is VCUSNGXXNGDJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(2)19-15(18)13-8-6-12(7-9-13)14(10-16-3)17(4)5/h6-9,11,14,16H,10H2,1-5H3.
What are the key properties of propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate?
propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate has a molecular weight of 264.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[1-(dimethylamino)-2-(methylamino)ethyl]benzoate is sourced from PubChem (CID 145029330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).