methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate

C16H16ClNO3 — CID 63552597

IUPACmethyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate
SMILESCOC(=O)c1cc(OCc2cccc(Cl)c2)cc(C)c1N
InChIInChI=1S/C16H16ClNO3/c1-10-6-13(8-14(15(10)18)16(19)20-2)21-9-11-4-3-5-12(17)7-11/h3-8H,9,18H2,1-2H3
InChIKeyJYIMXTRGSAJBOI-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.60
Rot. Bonds4

About methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate

methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate (PubChem CID 63552597) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate
PubChem CID63552597
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate
SMILESCOC(=O)c1cc(OCc2cccc(Cl)c2)cc(C)c1N
InChIInChI=1S/C16H16ClNO3/c1-10-6-13(8-14(15(10)18)16(19)20-2)21-9-11-4-3-5-12(17)7-11/h3-8H,9,18H2,1-2H3
InChIKeyJYIMXTRGSAJBOI-UHFFFAOYSA-N
XLogP3.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.60
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-5-[(2-bromophenyl)methoxy]-3-methylbenzoate
CID 82803746
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-amino-5-[(3-cyanophenyl)methoxy]-3-methylbenzoic acid
CID 63102352
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
[4-[(3-chlorophenyl)methoxy]-2-methylphenyl]-trifluoroboranuide
CID 83137066
methyl 5-(2-amino-1,3-thiazol-4-yl)-2-[(3-chlorophenyl)methoxy]benzoate
CID 97035977
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate?
The IUPAC name of methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate (CID 63552597) is methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate.
What is the SMILES notation for methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate?
The canonical SMILES for methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate is COC(=O)c1cc(OCc2cccc(Cl)c2)cc(C)c1N.
What is the InChIKey of methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate?
The InChIKey is JYIMXTRGSAJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-6-13(8-14(15(10)18)16(19)20-2)21-9-11-4-3-5-12(17)7-11/h3-8H,9,18H2,1-2H3.
What are the key properties of methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate?
methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate has a molecular weight of 305.76 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[(3-chlorophenyl)methoxy]-3-methylbenzoate is sourced from PubChem (CID 63552597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).