2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

C14H20F2N2 — CID 115246121

IUPAC2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CN(C)c2cc(F)ccc2F)CCC1
InChIInChI=1S/C14H20F2N2/c1-17-9-14(6-3-7-14)10-18(2)13-8-11(15)4-5-12(13)16/h4-5,8,17H,3,6-7,9-10H2,1-2H3
InChIKeyYGZNTKJRYHDWFI-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.79
Rot. Bonds5

About 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline

2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (PubChem CID 115246121) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
PubChem CID115246121
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
SMILESCNCC1(CN(C)c2cc(F)ccc2F)CCC1
InChIInChI=1S/C14H20F2N2/c1-17-9-14(6-3-7-14)10-18(2)13-8-11(15)4-5-12(13)16/h4-5,8,17H,3,6-7,9-10H2,1-2H3
InChIKeyYGZNTKJRYHDWFI-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline 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

2-fluoro-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244661
2-methoxy-N,5-dimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246108
N,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246100
(2,5-difluoro-N-methylanilino)methanethiol
CID 115227749
2,5-difluoro-N-(hydrazinylmethyl)-N-methylaniline
CID 115260602
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-2-fluoro-N-methylaniline
CID 63495939
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125
N-ethyl-3-fluoro-N-[[1-(methylaminomethyl)cyclohexyl]methyl]aniline
CID 63494586
[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243408
1-[(2,5-difluorophenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183843
4-fluoro-N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]aniline
CID 63493700
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 115245867

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The IUPAC name of 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline (CID 115246121) is 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The canonical SMILES for 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is CNCC1(CN(C)c2cc(F)ccc2F)CCC1.
What is the InChIKey of 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
The InChIKey is YGZNTKJRYHDWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-17-9-14(6-3-7-14)10-18(2)13-8-11(15)4-5-12(13)16/h4-5,8,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline?
2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline has a molecular weight of 254.32 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline is sourced from PubChem (CID 115246121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).