N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine

C15H21F2NO — CID 65196722

IUPACN-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2ccc(F)cc2F)CCC1
InChIInChI=1S/C15H21F2NO/c1-19-8-7-18-11-15(5-2-6-15)10-12-3-4-13(16)9-14(12)17/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeySVMRTKQILGRILN-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.91
Rot. Bonds7

About N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine

N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 65196722) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
PubChem CID65196722
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2ccc(F)cc2F)CCC1
InChIInChI=1S/C15H21F2NO/c1-19-8-7-18-11-15(5-2-6-15)10-12-3-4-13(16)9-14(12)17/h3-4,9,18H,2,5-8,10-11H2,1H3
InChIKeySVMRTKQILGRILN-UHFFFAOYSA-N
XLogP2.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[(2,4-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 62905405
N-[[1-[(2,5-difluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62725191
N-[[1-[(2-bromo-5-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62726004
N-[[1-[(5-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]-2-methoxyethanamine
CID 62725210
N-[[1-[(4-fluorophenyl)methyl]cyclohexyl]methyl]-2-methoxyethanamine
CID 62723780
N-[[4-[(5-fluoro-2-methylphenyl)methyl]oxan-4-yl]methyl]-2-methoxyethanamine
CID 105374968
N-[[3-[(4-fluoro-2-methylphenyl)methyl]oxolan-3-yl]methyl]-2-methoxyethanamine
CID 114348893
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196229
2-methoxy-N-[[1-[(2-methylphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 62723981
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
CID 115245915
N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66426140
N-[[1-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 105374909

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine (CID 65196722) is N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2ccc(F)cc2F)CCC1.
What is the InChIKey of N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is SVMRTKQILGRILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-19-8-7-18-11-15(5-2-6-15)10-12-3-4-13(16)9-14(12)17/h3-4,9,18H,2,5-8,10-11H2,1H3.
What are the key properties of N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 269.33 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65196722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).