propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate

C14H21NO2 — CID 19429540

IUPACpropyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate
SMILESCCCOC(=O)Cc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-17-13(16)10-11-5-7-12(8-6-11)14(2,3)15/h5-8H,4,9-10,15H2,1-3H3
InChIKeyFVYYUMZKCSSNMS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.38
Rot. Bonds5

About propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate

propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate (PubChem CID 19429540) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate.

Molecular Properties

Compound Namepropyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate
PubChem CID19429540
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namepropyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate
SMILESCCCOC(=O)Cc1ccc(C(C)(C)N)cc1
InChIInChI=1S/C14H21NO2/c1-4-9-17-13(16)10-11-5-7-12(8-6-11)14(2,3)15/h5-8H,4,9-10,15H2,1-3H3
InChIKeyFVYYUMZKCSSNMS-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 2-(4-butylphenyl)acetate
CID 112724824
dodecyl 2-[4-(2-dodecoxy-2-oxoethyl)phenyl]acetate
CID 160686951
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730
propyl 2-[4-[2-(1-imidazol-1-ylpropylamino)propan-2-yl]phenyl]acetate
CID 19429531
prop-2-ynyl 2-(4-tert-butylphenyl)acetate
CID 71327616
2-[2-(4-chlorophenyl)acetyl]oxyethyl-dimethyl-octylazanium
CID 67875919
propyl 2-(3-iodophenyl)acetate
CID 139697967
propyl 2-(3-fluorophenyl)acetate
CID 43389577
2-[2-(4-sulfanylphenyl)acetyl]oxyethyl 2-(4-sulfanylphenyl)acetate
CID 158542822
propyl 4-hydroxybenzoate;propyl 2-phenylacetate
CID 174922489
ethyl 2-[2-(2-oxo-2-propoxyethyl)phenyl]acetate
CID 140674199
(4-methoxyphenyl)methyl 2-(4-tert-butylphenyl)acetate
CID 20537091

Frequently Asked Questions

What is the IUPAC name of propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate?
The IUPAC name of propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate (CID 19429540) is propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate.
What is the SMILES notation for propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate?
The canonical SMILES for propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate is CCCOC(=O)Cc1ccc(C(C)(C)N)cc1.
What is the InChIKey of propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate?
The InChIKey is FVYYUMZKCSSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-9-17-13(16)10-11-5-7-12(8-6-11)14(2,3)15/h5-8H,4,9-10,15H2,1-3H3.
What are the key properties of propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate?
propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate has a molecular weight of 235.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[4-(2-aminopropan-2-yl)phenyl]acetate is sourced from PubChem (CID 19429540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).