[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate

C13H17FN2O2 — CID 79345354

IUPAC[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate
SMILESCNCC1CC(OC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O2/c1-15-8-9-6-12(7-9)18-13(17)16-11-4-2-10(14)3-5-11/h2-5,9,12,15H,6-8H2,1H3,(H,16,17)
InChIKeySUENMNPWXYIRMT-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.37
Rot. Bonds4

About [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate

[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate (PubChem CID 79345354) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate
PubChem CID79345354
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate
SMILESCNCC1CC(OC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O2/c1-15-8-9-6-12(7-9)18-13(17)16-11-4-2-10(14)3-5-11/h2-5,9,12,15H,6-8H2,1H3,(H,16,17)
InChIKeySUENMNPWXYIRMT-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate 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

[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate
CID 79346589
(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
CID 5112796
(3-aminocyclobutyl) N-(4-methylphenyl)carbamate
CID 79346677
[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
CID 95985844
(3,5-dimethylcyclohexyl) N-[4-(aminomethyl)phenyl]carbamate
CID 64730203
(3,5-dimethylcyclohexyl) N-phenylcarbamate
CID 58534443
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) N-(4-fluorophenyl)carbamate
CID 43835256
N-(4-fluorophenyl)-2-[1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylacetamide;hydrochloride
CID 119546108
(2-aminocyclopentyl) N-(4-fluorophenyl)carbamate
CID 113395530
3-[(4-fluoroanilino)methyl]cyclobutan-1-ol
CID 126794071
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
[(1S,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]cyclohexyl] N-phenylcarbamate
CID 95985787

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate?
The IUPAC name of [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate (CID 79345354) is [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate.
What is the SMILES notation for [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate?
The canonical SMILES for [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate is CNCC1CC(OC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate?
The InChIKey is SUENMNPWXYIRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-15-8-9-6-12(7-9)18-13(17)16-11-4-2-10(14)3-5-11/h2-5,9,12,15H,6-8H2,1H3,(H,16,17).
What are the key properties of [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate?
[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate has a molecular weight of 252.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 79345354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).