(4-aminophenyl) 2-methylpropanoate;hydrochloride

C10H14ClNO2 — CID 174366284

IUPAC(4-aminophenyl) 2-methylpropanoate;hydrochloride
SMILESCC(C)C(=O)Oc1ccc(N)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-7(2)10(12)13-9-5-3-8(11)4-6-9;/h3-7H,11H2,1-2H3;1H
InChIKeyYPROOVXEZGYXGD-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.25
Rot. Bonds2

About (4-aminophenyl) 2-methylpropanoate;hydrochloride

(4-aminophenyl) 2-methylpropanoate;hydrochloride (PubChem CID 174366284) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is (4-aminophenyl) 2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Name(4-aminophenyl) 2-methylpropanoate;hydrochloride
PubChem CID174366284
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name(4-aminophenyl) 2-methylpropanoate;hydrochloride
SMILESCC(C)C(=O)Oc1ccc(N)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-7(2)10(12)13-9-5-3-8(11)4-6-9;/h3-7H,11H2,1-2H3;1H
InChIKeyYPROOVXEZGYXGD-UHFFFAOYSA-N
XLogP2.25
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-propan-2-ylphenyl) 2-methylpropanoate
CID 122674718
[4-(4-propan-2-ylphenyl)phenyl] 2-methylpropanoate
CID 89484565
(4-aminophenyl) acetate;nitrous acid
CID 174579192
[7-(2-methylpropanoyloxy)naphthalen-2-yl] 2-methylpropanoate
CID 4011744
(4-propanoylphenyl) 2-methylpropanoate
CID 19170731
[3,5-bis[[4-(2-methylpropanoyloxy)benzoyl]oxy]phenyl] 4-(2-methylpropanoyloxy)benzoate
CID 118041943
(4-butan-2-ylphenyl) 2-methylpropanoate
CID 155645541
(4-aminophenyl) (2S)-2-amino-3-hydroxypropanoate
CID 175246483
(4-aminophenyl) N,N-dimethylcarbamate
CID 21427559
[4-(pyridin-4-yldiazenyl)phenyl] 2-methylpropanoate
CID 170432505
[5-amino-2-(2-methylpropanoylamino)phenyl] 2-methylpropanoate;hydrochloride
CID 66521928
[4-(3,3-dimethyl-2-oxobutyl)phenyl] 2-methylpropanoate;ethane
CID 153355329

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl) 2-methylpropanoate;hydrochloride?
The IUPAC name of (4-aminophenyl) 2-methylpropanoate;hydrochloride (CID 174366284) is (4-aminophenyl) 2-methylpropanoate;hydrochloride.
What is the SMILES notation for (4-aminophenyl) 2-methylpropanoate;hydrochloride?
The canonical SMILES for (4-aminophenyl) 2-methylpropanoate;hydrochloride is CC(C)C(=O)Oc1ccc(N)cc1.Cl.
What is the InChIKey of (4-aminophenyl) 2-methylpropanoate;hydrochloride?
The InChIKey is YPROOVXEZGYXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-7(2)10(12)13-9-5-3-8(11)4-6-9;/h3-7H,11H2,1-2H3;1H.
What are the key properties of (4-aminophenyl) 2-methylpropanoate;hydrochloride?
(4-aminophenyl) 2-methylpropanoate;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl) 2-methylpropanoate;hydrochloride is sourced from PubChem (CID 174366284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).