3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine

C13H18F2N2O — CID 115214125

IUPAC3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
SMILESCOc1cc(F)c(CNCC2CC(N)C2)cc1F
InChIInChI=1S/C13H18F2N2O/c1-18-13-5-11(14)9(4-12(13)15)7-17-6-8-2-10(16)3-8/h4-5,8,10,17H,2-3,6-7,16H2,1H3
InChIKeyJUVHBRYQCMXMEG-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.80
Rot. Bonds5

About 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine

3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 115214125) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
PubChem CID115214125
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
SMILESCOc1cc(F)c(CNCC2CC(N)C2)cc1F
InChIInChI=1S/C13H18F2N2O/c1-18-13-5-11(14)9(4-12(13)15)7-17-6-8-2-10(16)3-8/h4-5,8,10,17H,2-3,6-7,16H2,1H3
InChIKeyJUVHBRYQCMXMEG-UHFFFAOYSA-N
XLogP1.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine 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

(2,5-difluoro-4-methoxyphenyl)methylhydrazine
CID 116932362
3-[[(5-chloro-4-methoxy-2-methylphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214074
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
N'-[(2,5-difluoro-4-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205877
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-2-methylpropanoic acid
CID 115219467
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
2-N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115131971
2-amino-N-[(2,5-difluoro-4-methoxyphenyl)methyl]propanamide
CID 115152405
3-[[(4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214033
1-(4-ethylcyclohexyl)-N-[(2-fluoro-4-methoxyphenyl)methyl]methanamine
CID 102876292
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine (CID 115214125) is 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine is COc1cc(F)c(CNCC2CC(N)C2)cc1F.
What is the InChIKey of 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is JUVHBRYQCMXMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-18-13-5-11(14)9(4-12(13)15)7-17-6-8-2-10(16)3-8/h4-5,8,10,17H,2-3,6-7,16H2,1H3.
What are the key properties of 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine?
3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 256.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,5-difluoro-4-methoxyphenyl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).