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

C15H21F2NO — CID 66426140

IUPACN-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(F)cc2F)CCC1C
InChIInChI=1S/C15H21F2NO/c1-11-5-6-15(11,10-18-7-8-19-2)13-4-3-12(16)9-14(13)17/h3-4,9,11,18H,5-8,10H2,1-2H3
InChIKeyAFKWVQWJXCMOMN-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.87
Rot. Bonds6

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

N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine (PubChem CID 66426140) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
PubChem CID66426140
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC NameN-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(c2ccc(F)cc2F)CCC1C
InChIInChI=1S/C15H21F2NO/c1-11-5-6-15(11,10-18-7-8-19-2)13-4-3-12(16)9-14(13)17/h3-4,9,11,18H,5-8,10H2,1-2H3
InChIKeyAFKWVQWJXCMOMN-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.87
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-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-1-amine
CID 79681920
N-[[1-(2-chloro-4-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66425142
N-[[1-(3,5-dimethylphenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66425933
N-[[1-(2,4-difluorophenyl)-2-methylcyclopentyl]methyl]propan-2-amine
CID 79682025
N-[[1-(3,4-dichlorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine
CID 66424340
N-[[1-[(2,4-difluorophenyl)methyl]cyclobutyl]methyl]-2-methoxyethanamine
CID 65196722
2-methoxy-N-[[1-(3-methoxy-4-methylphenyl)-2-methylcyclobutyl]methyl]ethanamine
CID 66424740
N-[[1-(3-fluorophenyl)-2-methylcyclobutyl]methyl]propan-1-amine
CID 66432799
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-[[2-(2-chloro-4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methoxyethanamine
CID 65009132
N-[[4-(2-chloro-4-fluorophenyl)oxan-4-yl]methyl]-2-methoxyethanamine
CID 63036176

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine (CID 66426140) is N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine is COCCNCC1(c2ccc(F)cc2F)CCC1C.
What is the InChIKey of N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
The InChIKey is AFKWVQWJXCMOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-11-5-6-15(11,10-18-7-8-19-2)13-4-3-12(16)9-14(13)17/h3-4,9,11,18H,5-8,10H2,1-2H3.
What are the key properties of N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine?
N-[[1-(2,4-difluorophenyl)-2-methylcyclobutyl]methyl]-2-methoxyethanamine has a molecular weight of 269.33 g/mol, XLogP of 2.87, 6 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)-2-methylcyclobutyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 66426140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).