methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate

C18H29NO2 — CID 115462632

IUPACmethyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN(CC(C)C)CC(C)C
InChIInChI=1S/C18H29NO2/c1-14(2)11-19(12-15(3)4)13-17-9-7-6-8-16(17)10-18(20)21-5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyZYSZDTLODBHAOY-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.52
Rot. Bonds8

About methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate

methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate (PubChem CID 115462632) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate
PubChem CID115462632
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Namemethyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccccc1CN(CC(C)C)CC(C)C
InChIInChI=1S/C18H29NO2/c1-14(2)11-19(12-15(3)4)13-17-9-7-6-8-16(17)10-18(20)21-5/h6-9,14-15H,10-13H2,1-5H3
InChIKeyZYSZDTLODBHAOY-UHFFFAOYSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetohydrazide
CID 115465400
2-[[bis(2-methylpropyl)amino]methyl]benzoic acid
CID 22680071
methyl 2-[2-(2-methylpropylsulfinylmethyl)phenyl]acetate
CID 113314707
methyl 2-amino-6-[[bis(2-methylpropyl)amino]methyl]benzoate
CID 104824380
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
methyl 2-[2-[[(2-amino-2-sulfanylideneethyl)-propylamino]methyl]phenyl]acetate
CID 115462370
2-[[2-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-(2-methylpropyl)amino]acetamide
CID 115465431
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
2-[[bis(2-methylpropyl)amino]methyl]benzaldehyde
CID 91656478
3-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76909271
methyl 2-(2-propan-2-ylsulfanylphenyl)acetate
CID 67952900
2-methyl-N-(2-methylpropyl)-N-[[2-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63491895

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate (CID 115462632) is methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate is COC(=O)Cc1ccccc1CN(CC(C)C)CC(C)C.
What is the InChIKey of methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate?
The InChIKey is ZYSZDTLODBHAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)11-19(12-15(3)4)13-17-9-7-6-8-16(17)10-18(20)21-5/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate?
methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate has a molecular weight of 291.44 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[bis(2-methylpropyl)amino]methyl]phenyl]acetate is sourced from PubChem (CID 115462632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).