methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate

C13H19NO2 — CID 143449158

IUPACmethyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)14-9-12-6-4-11(5-7-12)8-13(15)16-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyFVNDBTZTJPZOAH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.90
Rot. Bonds5

About methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate

methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate (PubChem CID 143449158) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate
PubChem CID143449158
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(CNC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)14-9-12-6-4-11(5-7-12)8-13(15)16-3/h4-7,10,14H,8-9H2,1-3H3
InChIKeyFVNDBTZTJPZOAH-UHFFFAOYSA-N
XLogP1.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
methyl 2-[4-(2-methylpropyl)phenyl]acetate
CID 10987436
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543
methyl 2-(4-aminophenyl)acetate;hydrochloride
CID 12918864
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181
CID 172801156
CID 172801156
methyl 2-[2-bromo-4-[(propan-2-ylamino)methyl]phenoxy]acetate
CID 63044853
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate
CID 86088038
methyl 2-[4-(4-ethylphenyl)phenyl]acetate
CID 20610301
methyl 2-(4-methylsulfanylphenyl)acetate
CID 12067662
methyl 2-[4-(tritiomethyl)phenyl]acetate
CID 140891676
methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
CID 22867083

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate (CID 143449158) is methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate is COC(=O)Cc1ccc(CNC(C)C)cc1.
What is the InChIKey of methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate?
The InChIKey is FVNDBTZTJPZOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)14-9-12-6-4-11(5-7-12)8-13(15)16-3/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate?
methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate has a molecular weight of 221.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(propan-2-ylamino)methyl]phenyl]acetate is sourced from PubChem (CID 143449158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).