methyl 4-[(cyclopropylamino)methyl]benzoate

C12H15NO2 — CID 16784234

IUPACmethyl 4-[(cyclopropylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C12H15NO2/c1-15-12(14)10-4-2-9(3-5-10)8-13-11-6-7-11/h2-5,11,13H,6-8H2,1H3
InChIKeyGHFXQTMLDGZHPW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.73
Rot. Bonds4

About methyl 4-[(cyclopropylamino)methyl]benzoate

methyl 4-[(cyclopropylamino)methyl]benzoate (PubChem CID 16784234) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 4-[(cyclopropylamino)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(cyclopropylamino)methyl]benzoate
PubChem CID16784234
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 4-[(cyclopropylamino)methyl]benzoate
SMILESCOC(=O)c1ccc(CNC2CC2)cc1
InChIInChI=1S/C12H15NO2/c1-15-12(14)10-4-2-9(3-5-10)8-13-11-6-7-11/h2-5,11,13H,6-8H2,1H3
InChIKeyGHFXQTMLDGZHPW-UHFFFAOYSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[(oxan-4-ylamino)methyl]benzoate
CID 43609902
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
methyl 4-[[(3-carbamoylcyclohexyl)amino]methyl]benzoate
CID 75516263
methyl 4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]benzoate
CID 103656733
methyl 4-[[(1,1-dioxothiolan-3-yl)amino]methyl]benzoate
CID 43177605
methyl 4-[[(6-oxopiperidin-3-yl)amino]methyl]benzoate
CID 63663688
benzyl 4-[(cyclopropylamino)methyl]benzoate
CID 138498071
ethyl 3-[(4-methoxycarbonylphenyl)methylamino]piperidine-1-carboxylate
CID 142212446
methyl 4-[[(2-oxooxolan-3-yl)amino]methyl]benzoate
CID 43823979
4-[[(4-cyclopropylcyclohexyl)amino]methyl]benzoic acid
CID 22501789
4-[[(4-methylcyclohexyl)amino]methyl]benzamide
CID 28579759
methyl 4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 63243065

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(cyclopropylamino)methyl]benzoate?
The IUPAC name of methyl 4-[(cyclopropylamino)methyl]benzoate (CID 16784234) is methyl 4-[(cyclopropylamino)methyl]benzoate.
What is the SMILES notation for methyl 4-[(cyclopropylamino)methyl]benzoate?
The canonical SMILES for methyl 4-[(cyclopropylamino)methyl]benzoate is COC(=O)c1ccc(CNC2CC2)cc1.
What is the InChIKey of methyl 4-[(cyclopropylamino)methyl]benzoate?
The InChIKey is GHFXQTMLDGZHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)10-4-2-9(3-5-10)8-13-11-6-7-11/h2-5,11,13H,6-8H2,1H3.
What are the key properties of methyl 4-[(cyclopropylamino)methyl]benzoate?
methyl 4-[(cyclopropylamino)methyl]benzoate has a molecular weight of 205.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(cyclopropylamino)methyl]benzoate is sourced from PubChem (CID 16784234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).