(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate

C15H13Cl2NO2 — CID 63450120

IUPAC(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
SMILESCc1cc(N)ccc1C(=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c1-9-6-11(18)3-4-12(9)15(19)20-8-10-2-5-13(16)14(17)7-10/h2-7H,8,18H2,1H3
InChIKeyUQZFWZMTEFOALZ-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.24
Rot. Bonds3

About (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate

(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate (PubChem CID 63450120) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate.

Molecular Properties

Compound Name(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
PubChem CID63450120
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name(3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate
SMILESCc1cc(N)ccc1C(=O)OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c1-9-6-11(18)3-4-12(9)15(19)20-8-10-2-5-13(16)14(17)7-10/h2-7H,8,18H2,1H3
InChIKeyUQZFWZMTEFOALZ-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'}

Analyze (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloro-4-fluorophenyl)methyl 4-amino-2-methylbenzoate
CID 103040758
(2,6-dichlorophenyl)methyl 4-amino-2-methylbenzoate
CID 63450771
(3-chloro-4-fluorophenyl)methyl 5-amino-2-methylbenzoate
CID 103040742
(3-chloro-4-fluorophenyl)methyl 4-amino-2-fluorobenzoate
CID 102979055
[4-(hydroxymethyl)phenyl]methyl 4-amino-2-chlorobenzoate
CID 115970023
(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61321314
(4-fluorophenyl)methyl 4-amino-2-chlorobenzoate
CID 61236840
(3,4-dichlorophenyl)methyl 2-iodobenzoate
CID 9291865
(2,4,6-trimethylphenyl)methyl 5-amino-2-chlorobenzoate
CID 62548299
(3,4-dichlorophenyl)methyl 2-bromobenzoate
CID 4771233
(2-chloro-4-pyridinyl)methyl 4-amino-2-chlorobenzoate
CID 138041424
(2,6-dimethylphenyl)methyl 4-amino-2-chlorobenzoate
CID 78998446

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate?
The IUPAC name of (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate (CID 63450120) is (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate.
What is the SMILES notation for (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate?
The canonical SMILES for (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate is Cc1cc(N)ccc1C(=O)OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate?
The InChIKey is UQZFWZMTEFOALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9-6-11(18)3-4-12(9)15(19)20-8-10-2-5-13(16)14(17)7-10/h2-7H,8,18H2,1H3.
What are the key properties of (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate?
(3,4-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 (3,4-dichlorophenyl)methyl 4-amino-2-methylbenzoate is sourced from PubChem (CID 63450120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).