methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride

C15H16ClNO3 — CID 68962145

IUPACmethyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(COc2ccccc2)cc1N.Cl
InChIInChI=1S/C15H15NO3.ClH/c1-18-15(17)13-8-7-11(9-14(13)16)10-19-12-5-3-2-4-6-12;/h2-9H,10,16H2,1H3;1H
InChIKeySUCNGQJRRUGULM-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.06
Rot. Bonds4

About methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride

methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride (PubChem CID 68962145) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride
PubChem CID68962145
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Namemethyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccc(COc2ccccc2)cc1N.Cl
InChIInChI=1S/C15H15NO3.ClH/c1-18-15(17)13-8-7-11(9-14(13)16)10-19-12-5-3-2-4-6-12;/h2-9H,10,16H2,1H3;1H
InChIKeySUCNGQJRRUGULM-UHFFFAOYSA-N
XLogP3.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.06
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-4-(hydroxymethyl)benzoate
CID 602338
methyl 2-amino-4-(fluoromethyl)benzoate
CID 59164407
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 2-amino-4-phenylbenzoate
CID 53412316
methyl 2-amino-5-[(4-methoxyphenyl)methoxy]benzoate
CID 61305630
methyl 4-amino-3-(phenoxymethyl)benzoate
CID 13399995
methyl 2-amino-4-(3-chloro-2-oxopropyl)benzoate
CID 134648563
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
2-bromo-4-(phenoxymethyl)benzoic acid
CID 117220284
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
methyl 4-amino-2-[(3-methoxyphenyl)methoxy]benzoate
CID 106954943
methyl 2-hydroxy-4-[2-(4-phenylmethoxyphenyl)ethynyl]benzoate
CID 70231054

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride?
The IUPAC name of methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride (CID 68962145) is methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride?
The canonical SMILES for methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride is COC(=O)c1ccc(COc2ccccc2)cc1N.Cl.
What is the InChIKey of methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride?
The InChIKey is SUCNGQJRRUGULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.ClH/c1-18-15(17)13-8-7-11(9-14(13)16)10-19-12-5-3-2-4-6-12;/h2-9H,10,16H2,1H3;1H.
What are the key properties of methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride?
methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride has a molecular weight of 293.75 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(phenoxymethyl)benzoate;hydrochloride is sourced from PubChem (CID 68962145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).