methyl 2-[(1-phenylethylamino)methyl]benzoate

C17H19NO2 — CID 43755919

IUPACmethyl 2-[(1-phenylethylamino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CNC(C)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-8-4-3-5-9-14)18-12-15-10-6-7-11-16(15)17(19)20-2/h3-11,13,18H,12H2,1-2H3
InChIKeyMWEVMPTWCCMBSB-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.32
Rot. Bonds5

About methyl 2-[(1-phenylethylamino)methyl]benzoate

methyl 2-[(1-phenylethylamino)methyl]benzoate (PubChem CID 43755919) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-[(1-phenylethylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-phenylethylamino)methyl]benzoate
PubChem CID43755919
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 2-[(1-phenylethylamino)methyl]benzoate
SMILESCOC(=O)c1ccccc1CNC(C)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13(14-8-4-3-5-9-14)18-12-15-10-6-7-11-16(15)17(19)20-2/h3-11,13,18H,12H2,1-2H3
InChIKeyMWEVMPTWCCMBSB-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[[(1S)-1-phenylethyl]amino]methyl]benzoate
CID 81351010
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
methyl 2-[[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 115905036
methyl 2-[(5-methylhexan-2-ylamino)methyl]benzoate
CID 43767169
2-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]benzoic acid
CID 103258886
methyl 2-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]benzoate
CID 103952914
2-[(1-phenylethylamino)methyl]phenol
CID 3669487
methyl 2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 43778098
methyl 2-[[(1-ethoxy-1-oxopropan-2-yl)amino]methyl]benzoate
CID 61498557
methyl 2-[(4,4,4-trifluorobutan-2-ylamino)methyl]benzoate
CID 113472107
methyl 3-bromo-4-[(1-phenylethylamino)methyl]benzoate
CID 102766395
2-[[[(1R)-1-(4-methylphenyl)ethyl]amino]methyl]benzamide
CID 81356256

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-phenylethylamino)methyl]benzoate?
The IUPAC name of methyl 2-[(1-phenylethylamino)methyl]benzoate (CID 43755919) is methyl 2-[(1-phenylethylamino)methyl]benzoate.
What is the SMILES notation for methyl 2-[(1-phenylethylamino)methyl]benzoate?
The canonical SMILES for methyl 2-[(1-phenylethylamino)methyl]benzoate is COC(=O)c1ccccc1CNC(C)c1ccccc1.
What is the InChIKey of methyl 2-[(1-phenylethylamino)methyl]benzoate?
The InChIKey is MWEVMPTWCCMBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13(14-8-4-3-5-9-14)18-12-15-10-6-7-11-16(15)17(19)20-2/h3-11,13,18H,12H2,1-2H3.
What are the key properties of methyl 2-[(1-phenylethylamino)methyl]benzoate?
methyl 2-[(1-phenylethylamino)methyl]benzoate has a molecular weight of 269.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-phenylethylamino)methyl]benzoate is sourced from PubChem (CID 43755919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).