2-methylpropyl 2-[2-(methylamino)ethyl]benzoate

C14H21NO2 — CID 104548518

IUPAC2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
SMILESCNCCc1ccccc1C(=O)OCC(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)10-17-14(16)13-7-5-4-6-12(13)8-9-15-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyAWMVFPWINFGYJN-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.26
Rot. Bonds6

About 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate

2-methylpropyl 2-[2-(methylamino)ethyl]benzoate (PubChem CID 104548518) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate.

Molecular Properties

Compound Name2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
PubChem CID104548518
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
SMILESCNCCc1ccccc1C(=O)OCC(C)C
InChIInChI=1S/C14H21NO2/c1-11(2)10-17-14(16)13-7-5-4-6-12(13)8-9-15-3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyAWMVFPWINFGYJN-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylpropoxy)ethyl 2-[2-(methylamino)ethyl]benzoate
CID 106448096
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
heptyl 2-[2-(methylamino)ethyl]benzoate
CID 104548525
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2-methylpropyl 2-(2-methylpropanoyl)benzoate
CID 142743653
1-O-[2-(2-fluorophenyl)ethyl] 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91711567
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-methylpropyl 2-benzoylbenzoate
CID 142743650
2-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613172
2-O-(2-chloropropyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
CID 91720151
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547692
N-(1-ethoxypropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547790

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate?
The IUPAC name of 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate (CID 104548518) is 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate.
What is the SMILES notation for 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate?
The canonical SMILES for 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate is CNCCc1ccccc1C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate?
The InChIKey is AWMVFPWINFGYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)10-17-14(16)13-7-5-4-6-12(13)8-9-15-3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate?
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate has a molecular weight of 235.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[2-(methylamino)ethyl]benzoate is sourced from PubChem (CID 104548518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).