methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate

C15H21NO2 — CID 103923539

IUPACmethyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
SMILESCCC1(CNCc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C15H21NO2/c1-3-15(8-9-15)11-16-10-12-4-6-13(7-5-12)14(17)18-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyRHMXHRZUIDRXTK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds6

About methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate

methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate (PubChem CID 103923539) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
PubChem CID103923539
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
SMILESCCC1(CNCc2ccc(C(=O)OC)cc2)CC1
InChIInChI=1S/C15H21NO2/c1-3-15(8-9-15)11-16-10-12-4-6-13(7-5-12)14(17)18-2/h4-7,16H,3,8-11H2,1-2H3
InChIKeyRHMXHRZUIDRXTK-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
CID 103923526
4-[[(1-ethylcyclobutyl)methylamino]methyl]benzamide
CID 103741169
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759
methyl 4-[2-(1-ethylcyclopropyl)ethyl]benzoate
CID 134382420
1-(4-chlorophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735458
methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
CID 115924433
4-[[[1-(2-hydroxyethyl)cyclopropyl]methylamino]methyl]-N-methylbenzamide
CID 114750159
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
methyl 5-[[(1-ethylcyclopentyl)methylamino]methyl]furan-3-carboxylate
CID 104586495
methyl 4-[(2-ethylsulfonylethylamino)methyl]benzoate
CID 113245478

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate (CID 103923539) is methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate is CCC1(CNCc2ccc(C(=O)OC)cc2)CC1.
What is the InChIKey of methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate?
The InChIKey is RHMXHRZUIDRXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-15(8-9-15)11-16-10-12-4-6-13(7-5-12)14(17)18-2/h4-7,16H,3,8-11H2,1-2H3.
What are the key properties of methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate?
methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate has a molecular weight of 247.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate is sourced from PubChem (CID 103923539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).