(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate

C15H13Cl2NO2 — CID 63450771

IUPAC(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
SMILESCc1cc(N)ccc1C(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9-7-10(18)5-6-11(9)15(19)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8,18H2,1H3
InChIKeyVLCWTOIGJQQEAO-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.24
Rot. Bonds3

About (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate

(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate (PubChem CID 63450771) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
PubChem CID63450771
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
SMILESCc1cc(N)ccc1C(=O)OCc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-9-7-10(18)5-6-11(9)15(19)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8,18H2,1H3
InChIKeyVLCWTOIGJQQEAO-UHFFFAOYSA-N
XLogP4.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.24
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-dichlorophenyl)methyl 5-amino-2,4-dimethylbenzoate
CID 102706266
(2,6-dimethylphenyl)methyl 4-amino-2-chlorobenzoate
CID 78998446
(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450120
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
(2,6-dichlorophenyl)methyl 3-amino-4-methylbenzoate
CID 60665539
(3-chloro-4-fluorophenyl)methyl 4-amino-2-methylbenzoate
CID 103040758
(2,4,6-trimethylphenyl)methyl 5-amino-2-chlorobenzoate
CID 62548299
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
(3-chloro-2-fluorophenyl)methyl 2,4-diaminobenzoate
CID 102858189
(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate
CID 64982506
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
1-[5-amino-2-[(2,6-dichlorophenyl)methoxy]phenyl]ethanone
CID 116541044

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate?
The IUPAC name of (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate (CID 63450771) is (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate?
The canonical SMILES for (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate is Cc1cc(N)ccc1C(=O)OCc1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate?
The InChIKey is VLCWTOIGJQQEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9-7-10(18)5-6-11(9)15(19)20-8-12-13(16)3-2-4-14(12)17/h2-7H,8,18H2,1H3.
What are the key properties of (2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate?
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate has a molecular weight of 310.18 g/mol, XLogP of 4.24, 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 4-amino-2-methylbenzoate is sourced from PubChem (CID 63450771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).