3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide

C14H19FN2O2 — CID 115185772

IUPAC3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)C1(CN)COC1
InChIInChI=1S/C14H19FN2O2/c1-17(13(18)14(8-16)9-19-10-14)7-6-11-2-4-12(15)5-3-11/h2-5H,6-10,16H2,1H3
InChIKeyVUUWUOIFXSPYAU-UHFFFAOYSA-N
MW266.32 g/mol
LogP0.80
Rot. Bonds5

About 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide

3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide (PubChem CID 115185772) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
PubChem CID115185772
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide
SMILESCN(CCc1ccc(F)cc1)C(=O)C1(CN)COC1
InChIInChI=1S/C14H19FN2O2/c1-17(13(18)14(8-16)9-19-10-14)7-6-11-2-4-12(15)5-3-11/h2-5H,6-10,16H2,1H3
InChIKeyVUUWUOIFXSPYAU-UHFFFAOYSA-N
XLogP0.80
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide
CID 120926401
4-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120926400
3-(hydroxymethyl)-N-methyl-N-(2-phenylethyl)oxetane-3-carboxamide
CID 115185456
N-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-N-methyloxetane-3-carboxamide
CID 115185381
1-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119297970
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120930723
3-(aminomethyl)-N-methyl-N-(2-pyridin-2-ylethyl)oxetane-3-carboxamide
CID 115185783
1-(aminomethyl)-N-[2-(4-fluoro-3-methylphenyl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115182798
3-amino-N-[2-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119297962
3-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methyloxetane-3-carboxamide
CID 115185698
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
4-amino-N-[2-(4-fluorophenyl)ethyl]-N,2-dimethylbutanamide
CID 115156145

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide (CID 115185772) is 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide is CN(CCc1ccc(F)cc1)C(=O)C1(CN)COC1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide?
The InChIKey is VUUWUOIFXSPYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(13(18)14(8-16)9-19-10-14)7-6-11-2-4-12(15)5-3-11/h2-5H,6-10,16H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide?
3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]-N-methyloxetane-3-carboxamide is sourced from PubChem (CID 115185772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).