(2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate

C16H15Cl2NO2 — CID 102706266

IUPAC(2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCc2c(Cl)cccc2Cl)cc1N
InChIInChI=1S/C16H15Cl2NO2/c1-9-6-10(2)15(19)7-11(9)16(20)21-8-12-13(17)4-3-5-14(12)18/h3-7H,8,19H2,1-2H3
InChIKeyORRBUIHJFBFNBM-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.55
Rot. Bonds3

About (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate

(2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate (PubChem CID 102706266) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
PubChem CID102706266
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name(2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCc2c(Cl)cccc2Cl)cc1N
InChIInChI=1S/C16H15Cl2NO2/c1-9-6-10(2)15(19)7-11(9)16(20)21-8-12-13(17)4-3-5-14(12)18/h3-7H,8,19H2,1-2H3
InChIKeyORRBUIHJFBFNBM-UHFFFAOYSA-N
XLogP4.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,6-dimethylphenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706186
(2,6-dichlorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665539
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
(4-chlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706084
(5-chloro-2-fluorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 103049423
(2-chloro-6-fluorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665527
(2,6-dimethylphenyl)methyl 4-amino-2-chlorobenzoate
CID 78998446
(4-bromo-2-fluorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706123
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
(4-fluoro-2-methylphenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706195
2-methoxyethyl 5-amino-2,4-dimethylbenzoate
CID 104538496

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate (CID 102706266) is (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate is Cc1cc(C)c(C(=O)OCc2c(Cl)cccc2Cl)cc1N.
What is the InChIKey of (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate?
The InChIKey is ORRBUIHJFBFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-9-6-10(2)15(19)7-11(9)16(20)21-8-12-13(17)4-3-5-14(12)18/h3-7H,8,19H2,1-2H3.
What are the key properties of (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate?
(2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate has a molecular weight of 324.21 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate is sourced from PubChem (CID 102706266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).