(4-amino-2-chloro-6-methylphenyl) acetate

C9H10ClNO2 — CID 143294448

IUPAC(4-amino-2-chloro-6-methylphenyl) acetate
SMILESCC(=O)Oc1c(C)cc(N)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-5-3-7(11)4-8(10)9(5)13-6(2)12/h3-4H,11H2,1-2H3
InChIKeyRUBXQNHOWOBWSN-UHFFFAOYSA-N
MW199.64 g/mol
LogP2.16
Rot. Bonds1

About (4-amino-2-chloro-6-methylphenyl) acetate

(4-amino-2-chloro-6-methylphenyl) acetate (PubChem CID 143294448) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is (4-amino-2-chloro-6-methylphenyl) acetate.

Molecular Properties

Compound Name(4-amino-2-chloro-6-methylphenyl) acetate
PubChem CID143294448
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name(4-amino-2-chloro-6-methylphenyl) acetate
SMILESCC(=O)Oc1c(C)cc(N)cc1Cl
InChIInChI=1S/C9H10ClNO2/c1-5-3-7(11)4-8(10)9(5)13-6(2)12/h3-4H,11H2,1-2H3
InChIKeyRUBXQNHOWOBWSN-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-2-chloro-6-methylphenyl) acetate
CID 130685721
(3-amino-2,4,6-trimethylphenyl) acetate
CID 10797860
(4-amino-2,3,6-trimethylphenyl) acetate
CID 87545490
(4-amino-2,6-dichlorophenyl) methyl carbonate
CID 131111049
[4-(aminomethyl)-2,6-dichlorophenyl] acetate
CID 174895620
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
(2,3-dichloro-6-methylphenyl) acetate
CID 59058146
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
CID 100914001
ethyl 2-(4-amino-2-chloro-6-methylphenyl)acetate
CID 171021330
(2,5-diacetyloxy-3-chlorophenyl)methyl acetate
CID 593738
[2-[(2-acetyloxy-3,5,6-trichlorophenyl)methyl]-3,4,6-trichlorophenyl] acetate
CID 95559504
4-(4-bromo-3,5-dimethylphenoxy)-3,5-dichloroaniline
CID 107722625

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chloro-6-methylphenyl) acetate?
The IUPAC name of (4-amino-2-chloro-6-methylphenyl) acetate (CID 143294448) is (4-amino-2-chloro-6-methylphenyl) acetate.
What is the SMILES notation for (4-amino-2-chloro-6-methylphenyl) acetate?
The canonical SMILES for (4-amino-2-chloro-6-methylphenyl) acetate is CC(=O)Oc1c(C)cc(N)cc1Cl.
What is the InChIKey of (4-amino-2-chloro-6-methylphenyl) acetate?
The InChIKey is RUBXQNHOWOBWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-5-3-7(11)4-8(10)9(5)13-6(2)12/h3-4H,11H2,1-2H3.
What are the key properties of (4-amino-2-chloro-6-methylphenyl) acetate?
(4-amino-2-chloro-6-methylphenyl) acetate has a molecular weight of 199.64 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chloro-6-methylphenyl) acetate is sourced from PubChem (CID 143294448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).