1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide

C15H21FN2O2 — CID 115448098

IUPAC1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)C1(CN)CCC1
InChIInChI=1S/C15H21FN2O2/c1-18(14(19)15(11-17)6-3-7-15)8-9-20-13-5-2-4-12(16)10-13/h2,4-5,10H,3,6-9,11,17H2,1H3
InChIKeySCEWIQXIGCHQGM-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.79
Rot. Bonds6

About 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 115448098) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
PubChem CID115448098
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(CCOc1cccc(F)c1)C(=O)C1(CN)CCC1
InChIInChI=1S/C15H21FN2O2/c1-18(14(19)15(11-17)6-3-7-15)8-9-20-13-5-2-4-12(16)10-13/h2,4-5,10H,3,6-9,11,17H2,1H3
InChIKeySCEWIQXIGCHQGM-UHFFFAOYSA-N
XLogP1.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide 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

1-(aminomethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 119689145
2-(1-aminocyclopentyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 64679568
4-(aminomethyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methyloxane-4-carboxamide
CID 120920103
1-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115452729
4-amino-N-[2-(3-fluorophenoxy)ethyl]-N,3-dimethyloxolane-3-carboxamide
CID 66249079
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115183542
N-[2-(3-fluorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 61063132
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
4-(aminomethyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methyloxane-4-carboxamide;hydrochloride
CID 120918678
2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
CID 60946637
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide (CID 115448098) is 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide is CN(CCOc1cccc(F)c1)C(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is SCEWIQXIGCHQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(14(19)15(11-17)6-3-7-15)8-9-20-13-5-2-4-12(16)10-13/h2,4-5,10H,3,6-9,11,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 280.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115448098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).