methylaminomethyl 3-methylbenzoate

C10H13NO2 — CID 143511413

IUPACmethylaminomethyl 3-methylbenzoate
SMILESCNCOC(=O)c1cccc(C)c1
InChIInChI=1S/C10H13NO2/c1-8-4-3-5-9(6-8)10(12)13-7-11-2/h3-6,11H,7H2,1-2H3
InChIKeyRIUQQQWGRUSGNV-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.33
Rot. Bonds3

About methylaminomethyl 3-methylbenzoate

methylaminomethyl 3-methylbenzoate (PubChem CID 143511413) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is methylaminomethyl 3-methylbenzoate.

Molecular Properties

Compound Namemethylaminomethyl 3-methylbenzoate
PubChem CID143511413
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Namemethylaminomethyl 3-methylbenzoate
SMILESCNCOC(=O)c1cccc(C)c1
InChIInChI=1S/C10H13NO2/c1-8-4-3-5-9(6-8)10(12)13-7-11-2/h3-6,11H,7H2,1-2H3
InChIKeyRIUQQQWGRUSGNV-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
hydroxymethyl 3-methylbenzoate
CID 54320661
methylaminomethyl 3-[(dimethylamino)methyl]benzoate
CID 166955135
heptadecyl 3-methylbenzoate
CID 530478
diethyl benzene-1,3-dicarboxylate
CID 12491
[3-methoxy-2-[(3-methylbenzoyl)amino]-3-oxopropyl] 3-methylbenzoate
CID 531437
(3-fluoro-2,2-dimethylpropyl) 3-methylbenzoate
CID 86068241
3-(methylamino)-1-(3-methylphenyl)propan-1-one
CID 83695895
(2-methyl-2-phenylpropyl) 3-methylbenzoate
CID 175010549
(3-methylbenzoyl)oxysulfonyl 3-methylbenzoate
CID 87155978
(3-methylbenzoyl) 3-methylbenzenecarboperoxoate;1,2-xylene
CID 175518678
naphthalen-2-ylmethyl 3-methylbenzoate
CID 976134

Frequently Asked Questions

What is the IUPAC name of methylaminomethyl 3-methylbenzoate?
The IUPAC name of methylaminomethyl 3-methylbenzoate (CID 143511413) is methylaminomethyl 3-methylbenzoate.
What is the SMILES notation for methylaminomethyl 3-methylbenzoate?
The canonical SMILES for methylaminomethyl 3-methylbenzoate is CNCOC(=O)c1cccc(C)c1.
What is the InChIKey of methylaminomethyl 3-methylbenzoate?
The InChIKey is RIUQQQWGRUSGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8-4-3-5-9(6-8)10(12)13-7-11-2/h3-6,11H,7H2,1-2H3.
What are the key properties of methylaminomethyl 3-methylbenzoate?
methylaminomethyl 3-methylbenzoate has a molecular weight of 179.22 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylaminomethyl 3-methylbenzoate is sourced from PubChem (CID 143511413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).