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

C14H19NO2 — CID 103923526

IUPACmethyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC2(C)CC2)cc1
InChIInChI=1S/C14H19NO2/c1-14(7-8-14)10-15-9-11-3-5-12(6-4-11)13(16)17-2/h3-6,15H,7-10H2,1-2H3
InChIKeyPQMHQWMXSOFXLK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.36
Rot. Bonds5

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

methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate (PubChem CID 103923526) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
PubChem CID103923526
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNCC2(C)CC2)cc1
InChIInChI=1S/C14H19NO2/c1-14(7-8-14)10-15-9-11-3-5-12(6-4-11)13(16)17-2/h3-6,15H,7-10H2,1-2H3
InChIKeyPQMHQWMXSOFXLK-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759
methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
CID 115924433
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid
CID 114108521
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724392
N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
methyl 5-[[(4-methyloxan-4-yl)methylamino]methyl]furan-2-carboxylate
CID 103923521
methyl 4-[(prop-2-ynylamino)methyl]benzoate;hydrochloride
CID 170912293
methyl 4-[[(4-methylcyclohexyl)methylamino]methyl]benzoate
CID 63243065

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate?
The IUPAC name of methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate (CID 103923526) is methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate is COC(=O)c1ccc(CNCC2(C)CC2)cc1.
What is the InChIKey of methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate?
The InChIKey is PQMHQWMXSOFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(7-8-14)10-15-9-11-3-5-12(6-4-11)13(16)17-2/h3-6,15H,7-10H2,1-2H3.
What are the key properties of methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate?
methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate has a molecular weight of 233.31 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate is sourced from PubChem (CID 103923526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).