[3-[(3-methylphenyl)methylamino]phenyl] acetate

C16H17NO2 — CID 82533297

IUPAC[3-[(3-methylphenyl)methylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NCc2cccc(C)c2)c1
InChIInChI=1S/C16H17NO2/c1-12-5-3-6-14(9-12)11-17-15-7-4-8-16(10-15)19-13(2)18/h3-10,17H,11H2,1-2H3
InChIKeyQDIGFVXTHWTNOO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.53
Rot. Bonds4

About [3-[(3-methylphenyl)methylamino]phenyl] acetate

[3-[(3-methylphenyl)methylamino]phenyl] acetate (PubChem CID 82533297) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is [3-[(3-methylphenyl)methylamino]phenyl] acetate.

Molecular Properties

Compound Name[3-[(3-methylphenyl)methylamino]phenyl] acetate
PubChem CID82533297
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name[3-[(3-methylphenyl)methylamino]phenyl] acetate
SMILESCC(=O)Oc1cccc(NCc2cccc(C)c2)c1
InChIInChI=1S/C16H17NO2/c1-12-5-3-6-14(9-12)11-17-15-7-4-8-16(10-15)19-13(2)18/h3-10,17H,11H2,1-2H3
InChIKeyQDIGFVXTHWTNOO-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-[[3-[[(3-methylbenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929113
3-methyl-N-[(3-phenoxyphenyl)methyl]aniline
CID 86024884
ethyl 2-[4-[(3-methylphenyl)methylamino]phenyl]acetate
CID 175503495
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] acetate
CID 108865379
[4-[(3-methylphenyl)methylamino]phenyl]urea
CID 43744878
N-(3-methylphenyl)-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]acetamide
CID 46045434
2-fluoro-4-[(3-methylphenyl)methylamino]benzoic acid
CID 113319749
2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
5-[(3-methylphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109188570
2-(hydroxymethyl)-5-[(3-methylphenyl)methylamino]phenol
CID 83962331
N-[(3-methylphenyl)methyl]-2-[4-[(3-methylphenyl)methylamino]phenoxy]aniline
CID 20555519
3-methyl-N-[(3-prop-2-ynoxyphenyl)methyl]aniline
CID 126126224

Frequently Asked Questions

What is the IUPAC name of [3-[(3-methylphenyl)methylamino]phenyl] acetate?
The IUPAC name of [3-[(3-methylphenyl)methylamino]phenyl] acetate (CID 82533297) is [3-[(3-methylphenyl)methylamino]phenyl] acetate.
What is the SMILES notation for [3-[(3-methylphenyl)methylamino]phenyl] acetate?
The canonical SMILES for [3-[(3-methylphenyl)methylamino]phenyl] acetate is CC(=O)Oc1cccc(NCc2cccc(C)c2)c1.
What is the InChIKey of [3-[(3-methylphenyl)methylamino]phenyl] acetate?
The InChIKey is QDIGFVXTHWTNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-5-3-6-14(9-12)11-17-15-7-4-8-16(10-15)19-13(2)18/h3-10,17H,11H2,1-2H3.
What are the key properties of [3-[(3-methylphenyl)methylamino]phenyl] acetate?
[3-[(3-methylphenyl)methylamino]phenyl] acetate has a molecular weight of 255.32 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-methylphenyl)methylamino]phenyl] acetate is sourced from PubChem (CID 82533297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).