methyl 4-(2-phenylethylamino)benzoate

C16H17NO2 — CID 43217242

IUPACmethyl 4-(2-phenylethylamino)benzoate
SMILESCOC(=O)c1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3
InChIKeyDNYYKQORSJEQCT-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.13
Rot. Bonds5

About methyl 4-(2-phenylethylamino)benzoate

methyl 4-(2-phenylethylamino)benzoate (PubChem CID 43217242) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl 4-(2-phenylethylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-phenylethylamino)benzoate
PubChem CID43217242
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl 4-(2-phenylethylamino)benzoate
SMILESCOC(=O)c1ccc(NCCc2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3
InChIKeyDNYYKQORSJEQCT-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[5-(2-phenylethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109191932
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
methyl 4-[[3-(2-phenylethylamino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112953044
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094
methyl 4-(3-phenylpropanoyl)benzoate
CID 11184731
methyl 4-amino-3-(2-phenylethylamino)benzoate
CID 82786010
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
3-(4-methoxycarbonylanilino)propyl-triphenylphosphanium
CID 176907747
4-(methoxymethyl)-N-(2-phenylethyl)aniline
CID 83961080
methyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethylamino]benzoate
CID 110653773
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-phenylethylamino)benzoate?
The IUPAC name of methyl 4-(2-phenylethylamino)benzoate (CID 43217242) is methyl 4-(2-phenylethylamino)benzoate.
What is the SMILES notation for methyl 4-(2-phenylethylamino)benzoate?
The canonical SMILES for methyl 4-(2-phenylethylamino)benzoate is COC(=O)c1ccc(NCCc2ccccc2)cc1.
What is the InChIKey of methyl 4-(2-phenylethylamino)benzoate?
The InChIKey is DNYYKQORSJEQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)14-7-9-15(10-8-14)17-12-11-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3.
What are the key properties of methyl 4-(2-phenylethylamino)benzoate?
methyl 4-(2-phenylethylamino)benzoate has a molecular weight of 255.32 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenylethylamino)benzoate is sourced from PubChem (CID 43217242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).