methyl 4-(1-phenylethylamino)benzoate

C16H17NO2 — CID 43217232

IUPACmethyl 4-(1-phenylethylamino)benzoate
SMILESCOC(=O)c1ccc(NC(C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(13-6-4-3-5-7-13)17-15-10-8-14(9-11-15)16(18)19-2/h3-12,17H,1-2H3
InChIKeyIRTZKYZSTVXSPO-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.65
Rot. Bonds4

About methyl 4-(1-phenylethylamino)benzoate

methyl 4-(1-phenylethylamino)benzoate (PubChem CID 43217232) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 4-(1-phenylethylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(1-phenylethylamino)benzoate
PubChem CID43217232
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 4-(1-phenylethylamino)benzoate
SMILESCOC(=O)c1ccc(NC(C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12(13-6-4-3-5-7-13)17-15-10-8-14(9-11-15)16(18)19-2/h3-12,17H,1-2H3
InChIKeyIRTZKYZSTVXSPO-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-(1-phenylethylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 4-(1-phenylethylamino)benzoate
CID 43226962
methyl 4-[1-(furan-2-yl)ethylamino]benzoate
CID 43139128
methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
3,4-dimethoxy-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 112982231
methyl 4-[1-(3-bromo-4-fluorophenyl)ethylamino]benzoate
CID 43774296
methyl 4-[(1R)-1-phenylethoxy]benzoate
CID 163226081
(4-methoxycarbonylphenyl)-triphenylphosphanium
CID 19810472
methane;methyl 4-anilinobenzoate
CID 160948347
methyl 4-(2-amino-1-anilino-2-oxoethyl)benzoate
CID 61005608
methyl 3,4-dihydroxy-5-[[(1R)-1-phenylethyl]amino]benzoate
CID 141277770
methyl 4-[cyclopropyl(phenyl)methyl]benzoate
CID 164671070
methyl 4-(2,3,3-triphenylpropanoylamino)benzoate
CID 2787213

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-phenylethylamino)benzoate?
The IUPAC name of methyl 4-(1-phenylethylamino)benzoate (CID 43217232) is methyl 4-(1-phenylethylamino)benzoate.
What is the SMILES notation for methyl 4-(1-phenylethylamino)benzoate?
The canonical SMILES for methyl 4-(1-phenylethylamino)benzoate is COC(=O)c1ccc(NC(C)c2ccccc2)cc1.
What is the InChIKey of methyl 4-(1-phenylethylamino)benzoate?
The InChIKey is IRTZKYZSTVXSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12(13-6-4-3-5-7-13)17-15-10-8-14(9-11-15)16(18)19-2/h3-12,17H,1-2H3.
What are the key properties of methyl 4-(1-phenylethylamino)benzoate?
methyl 4-(1-phenylethylamino)benzoate has a molecular weight of 255.32 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-phenylethylamino)benzoate is sourced from PubChem (CID 43217232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).