1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide

C14H18F2N2O — CID 115183542

IUPAC1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1cc(F)ccc1F)C(=O)C1(CN)CCC1
InChIInChI=1S/C14H18F2N2O/c1-18(13(19)14(9-17)5-2-6-14)8-10-7-11(15)3-4-12(10)16/h3-4,7H,2,5-6,8-9,17H2,1H3
InChIKeyUGACHZKMZXMRIX-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.05
Rot. Bonds4

About 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide

1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide (PubChem CID 115183542) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
PubChem CID115183542
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide
SMILESCN(Cc1cc(F)ccc1F)C(=O)C1(CN)CCC1
InChIInChI=1S/C14H18F2N2O/c1-18(13(19)14(9-17)5-2-6-14)8-10-7-11(15)3-4-12(10)16/h3-4,7H,2,5-6,8-9,17H2,1H3
InChIKeyUGACHZKMZXMRIX-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-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-[(2,5-difluorophenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181917
1-(aminomethyl)-N-[(4-ethylphenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447419
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylcyclobutane-1-carboxamide
CID 115447915
N-[(2-fluorophenyl)methyl]-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184122
1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80588544
1-(aminomethyl)-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115448025
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867
1-(aminomethyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 115448413
2-[1-(aminomethyl)cyclobutyl]-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 81172216
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 81487244
1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115448098
1-amino-N-[(2,4-difluorophenyl)methyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119278393

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide (CID 115183542) is 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide is CN(Cc1cc(F)ccc1F)C(=O)C1(CN)CCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is UGACHZKMZXMRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-18(13(19)14(9-17)5-2-6-14)8-10-7-11(15)3-4-12(10)16/h3-4,7H,2,5-6,8-9,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide?
1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).