methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate

C14H19NO2 — CID 115924433

IUPACmethyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC2(C)CCC2)cc1
InChIInChI=1S/C14H19NO2/c1-14(8-3-9-14)15-10-11-4-6-12(7-5-11)13(16)17-2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyFUQCEHWKIQIGLC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.51
Rot. Bonds4

About methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate

methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate (PubChem CID 115924433) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
PubChem CID115924433
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC2(C)CCC2)cc1
InChIInChI=1S/C14H19NO2/c1-14(8-3-9-14)15-10-11-4-6-12(7-5-11)13(16)17-2/h4-7,15H,3,8-10H2,1-2H3
InChIKeyFUQCEHWKIQIGLC-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
CID 103923526
methyl 4-[[[1-(dimethylamino)cyclobutyl]methylamino]methyl]benzoate
CID 105415759
methyl 4-[[(1-aminocyclopropanecarbonyl)amino]methyl]benzoate
CID 65466652
methyl 4-[[(1-ethylcyclopropyl)methylamino]methyl]benzoate
CID 103923539
1-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 61365748
methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 63122386
ethane;methyl 4-[(benzylamino)methyl]benzoate
CID 144842755
methyl 4-[[(4-bromophenyl)methylamino]methyl]benzoate
CID 60685580
3-[[(1-methylcyclobutyl)amino]methyl]benzoic acid
CID 103264825
N-[[4-(methoxymethyl)phenyl]methyl]-1-methylcyclopropan-1-amine
CID 115654216
methyl 4-[(cyclopropylamino)methyl]benzoate
CID 16784234
4-[[(1-methylcyclobutyl)amino]methyl]benzene-1,2-diol
CID 115978825

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate (CID 115924433) is methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC2(C)CCC2)cc1.
What is the InChIKey of methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate?
The InChIKey is FUQCEHWKIQIGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(8-3-9-14)15-10-11-4-6-12(7-5-11)13(16)17-2/h4-7,15H,3,8-10H2,1-2H3.
What are the key properties of methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate?
methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate has a molecular weight of 233.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1-methylcyclobutyl)amino]methyl]benzoate is sourced from PubChem (CID 115924433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).