(2-methylphenyl)methyl 4-amino-2-chlorobenzoate

C15H14ClNO2 — CID 61238994

IUPAC(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
SMILESCc1ccccc1COC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-4-2-3-5-11(10)9-19-15(18)13-7-6-12(17)8-14(13)16/h2-8H,9,17H2,1H3
InChIKeyQEPIQFVSBLMIOZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.59
Rot. Bonds3

About (2-methylphenyl)methyl 4-amino-2-chlorobenzoate

(2-methylphenyl)methyl 4-amino-2-chlorobenzoate (PubChem CID 61238994) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (2-methylphenyl)methyl 4-amino-2-chlorobenzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
PubChem CID61238994
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
SMILESCc1ccccc1COC(=O)c1ccc(N)cc1Cl
InChIInChI=1S/C15H14ClNO2/c1-10-4-2-3-5-11(10)9-19-15(18)13-7-6-12(17)8-14(13)16/h2-8H,9,17H2,1H3
InChIKeyQEPIQFVSBLMIOZ-UHFFFAOYSA-N
XLogP3.59
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 4-amino-2-chlorobenzoate?
The IUPAC name of (2-methylphenyl)methyl 4-amino-2-chlorobenzoate (CID 61238994) is (2-methylphenyl)methyl 4-amino-2-chlorobenzoate.
What is the SMILES notation for (2-methylphenyl)methyl 4-amino-2-chlorobenzoate?
The canonical SMILES for (2-methylphenyl)methyl 4-amino-2-chlorobenzoate is Cc1ccccc1COC(=O)c1ccc(N)cc1Cl.
What is the InChIKey of (2-methylphenyl)methyl 4-amino-2-chlorobenzoate?
The InChIKey is QEPIQFVSBLMIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10-4-2-3-5-11(10)9-19-15(18)13-7-6-12(17)8-14(13)16/h2-8H,9,17H2,1H3.
What are the key properties of (2-methylphenyl)methyl 4-amino-2-chlorobenzoate?
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate has a molecular weight of 275.74 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 4-amino-2-chlorobenzoate is sourced from PubChem (CID 61238994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).