methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate

C16H16ClNO3 — CID 104825360

IUPACmethyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
SMILESCOC(=O)c1c(N)cccc1COCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO3/c1-20-16(19)15-12(6-4-8-14(15)18)10-21-9-11-5-2-3-7-13(11)17/h2-8H,9-10,18H2,1H3
InChIKeyNWHKZTAAVYGSJW-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.43
Rot. Bonds5

About methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate

methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate (PubChem CID 104825360) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
PubChem CID104825360
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate
SMILESCOC(=O)c1c(N)cccc1COCc1ccccc1Cl
InChIInChI=1S/C16H16ClNO3/c1-20-16(19)15-12(6-4-8-14(15)18)10-21-9-11-5-2-3-7-13(11)17/h2-8H,9-10,18H2,1H3
InChIKeyNWHKZTAAVYGSJW-UHFFFAOYSA-N
XLogP3.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.43
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-[(2-chlorophenyl)methoxymethyl]-6-methoxybenzoate
CID 46735306
methyl 2-amino-6-chlorobenzoate;hydrochloride
CID 84819290
methyl 2-amino-6-[(2-chloro-6-fluorophenoxy)methyl]benzoate
CID 104825565
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
methyl 2-amino-6-[(2-methylpropan-2-yl)oxymethyl]benzoate
CID 113457440
methyl 2-amino-6-[(3-chlorophenoxy)methyl]benzoate
CID 104825327
methyl 2-amino-6-[[2-(hydroxymethyl)phenoxy]methyl]benzoate
CID 104825496
2-(3-chloro-2-methoxycarbonylphenyl)acetic acid
CID 91882394
methyl 2-amino-6-[(4-chloro-3-methylpyrazol-1-yl)methyl]benzoate
CID 104825017
methyl 2-amino-6-(2-ethylhexoxymethyl)benzoate
CID 104825407
2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526
methyl 2-amino-6-[(2-methylsulfanylphenoxy)methyl]benzoate
CID 104825492

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate?
The IUPAC name of methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate (CID 104825360) is methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate is COC(=O)c1c(N)cccc1COCc1ccccc1Cl.
What is the InChIKey of methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate?
The InChIKey is NWHKZTAAVYGSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-20-16(19)15-12(6-4-8-14(15)18)10-21-9-11-5-2-3-7-13(11)17/h2-8H,9-10,18H2,1H3.
What are the key properties of methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate?
methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate has a molecular weight of 305.76 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[(2-chlorophenyl)methoxymethyl]benzoate is sourced from PubChem (CID 104825360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).