methyl 2-(4-aminophenyl)acetate;hydrochloride

C9H12ClNO2 — CID 12918864

IUPACmethyl 2-(4-aminophenyl)acetate;hydrochloride
SMILESCOC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5H,6,10H2,1H3;1H
InChIKeyWRZBLDDHUMBLKP-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.41
Rot. Bonds2

About methyl 2-(4-aminophenyl)acetate;hydrochloride

methyl 2-(4-aminophenyl)acetate;hydrochloride (PubChem CID 12918864) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is methyl 2-(4-aminophenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(4-aminophenyl)acetate;hydrochloride
PubChem CID12918864
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-(4-aminophenyl)acetate;hydrochloride
SMILESCOC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5H,6,10H2,1H3;1H
InChIKeyWRZBLDDHUMBLKP-UHFFFAOYSA-N
XLogP1.41
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.41
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'}

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Related Compounds

amino 2-(4-aminophenyl)acetate
CID 66872043
2-(4-aminophenyl)ethaneperoxoic acid
CID 19931513
[2-(4-aminophenyl)acetyl]oxymercury
CID 140524085
dimethyl 2-[[2-(4-aminophenyl)acetyl]amino]butanedioate;hydrochloride
CID 119768777
methyl 2-[4-(acetyloxymethyl)phenyl]acetate
CID 14793789
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
butan-2-yl 2-(4-aminophenyl)acetate
CID 43830814
methyl 7-[[2-(4-aminophenyl)acetyl]amino]heptanoate;hydrochloride
CID 119701299
methyl 4-[[2-(4-aminophenyl)acetyl]amino]butanoate
CID 61274710
methyl 2-[4-(methylaminomethyl)phenyl]acetate
CID 23594251
sodium 4-(2-methoxy-2-oxoethyl)phenolate
CID 70152543
2-methylpropyl 2-(4-aminophenyl)acetate
CID 20504770

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-aminophenyl)acetate;hydrochloride?
The IUPAC name of methyl 2-(4-aminophenyl)acetate;hydrochloride (CID 12918864) is methyl 2-(4-aminophenyl)acetate;hydrochloride.
What is the SMILES notation for methyl 2-(4-aminophenyl)acetate;hydrochloride?
The canonical SMILES for methyl 2-(4-aminophenyl)acetate;hydrochloride is COC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of methyl 2-(4-aminophenyl)acetate;hydrochloride?
The InChIKey is WRZBLDDHUMBLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-12-9(11)6-7-2-4-8(10)5-3-7;/h2-5H,6,10H2,1H3;1H.
What are the key properties of methyl 2-(4-aminophenyl)acetate;hydrochloride?
methyl 2-(4-aminophenyl)acetate;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-aminophenyl)acetate;hydrochloride is sourced from PubChem (CID 12918864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).