methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate

C15H14ClNO3 — CID 104825327

IUPACmethyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1COc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-19-15(18)14-10(4-2-7-13(14)17)9-20-12-6-3-5-11(16)8-12/h2-8H,9,17H2,1H3
InChIKeyPBLNECLFWCKCAT-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.29
Rot. Bonds4

About methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate

methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate (PubChem CID 104825327) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
PubChem CID104825327
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Namemethyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1COc1cccc(Cl)c1
InChIInChI=1S/C15H14ClNO3/c1-19-15(18)14-10(4-2-7-13(14)17)9-20-12-6-3-5-11(16)8-12/h2-8H,9,17H2,1H3
InChIKeyPBLNECLFWCKCAT-UHFFFAOYSA-N
XLogP3.29
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-amino-6-[(3,5-difluorophenoxy)methyl]benzoate
CID 104825483
methyl 2-amino-6-[(4-bromo-3-fluorophenoxy)methyl]benzoate
CID 104825528
methyl 2-amino-6-[(2-chloro-6-fluorophenoxy)methyl]benzoate
CID 104825565
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
CID 104825360
methyl 2-[[3-[(4-chlorophenyl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241525
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
methyl 2-amino-6-[(2-bromo-4-methylphenoxy)methyl]benzoate
CID 104825390
methyl 2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoate
CID 104825492
methyl 2-[[3-[(7-chloroquinolin-2-yl)methoxy]phenoxy]methyl]-6-methylbenzoate
CID 22241371
methyl 2-amino-6-[(2-methylphenyl)methoxy]benzoate
CID 107341726

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate?
The IUPAC name of methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate (CID 104825327) is methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate is COC(=O)c1c(N)cccc1COc1cccc(Cl)c1.
What is the InChIKey of methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate?
The InChIKey is PBLNECLFWCKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-19-15(18)14-10(4-2-7-13(14)17)9-20-12-6-3-5-11(16)8-12/h2-8H,9,17H2,1H3.
What are the key properties of methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate?
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate has a molecular weight of 291.73 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate is sourced from PubChem (CID 104825327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).