N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine

C11H15F2NO — CID 107513371

IUPACN-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(C)c(F)c1F
InChIInChI=1S/C11H15F2NO/c1-8-3-4-9(11(13)10(8)12)7-14-5-6-15-2/h3-4,14H,5-7H2,1-2H3
InChIKeyPWXQDBFAQURQMK-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.01
Rot. Bonds5

About N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine

N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine (PubChem CID 107513371) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
PubChem CID107513371
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC NameN-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(C)c(F)c1F
InChIInChI=1S/C11H15F2NO/c1-8-3-4-9(11(13)10(8)12)7-14-5-6-15-2/h3-4,14H,5-7H2,1-2H3
InChIKeyPWXQDBFAQURQMK-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.01
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-[(2-fluorophenyl)methyl]-2-methoxyethanamine;hydrochloride
CID 17294446
N-(2-methoxyethyl)-2-(2,3,4-trifluorophenyl)ethanamine
CID 62965672
1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 84654035
N'-[(3-bromo-2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 114019833
N-[(4-fluoro-2-methylphenyl)methyl]-4-methoxybutan-1-amine
CID 62134113
N'-[(2,3-dimethylphenyl)methyl]-N-(2-methoxyethyl)ethane-1,2-diamine
CID 113405496
N'-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)propane-1,3-diamine
CID 113410575
N-[(2,3-difluorophenyl)methyl]-3-methoxypropan-1-amine
CID 43234451
2-methoxy-N-[[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 63058721
N-[(4-tert-butylsulfanyl-2-methylphenyl)methyl]-2-methoxyethanamine
CID 63804492
N-[[2-(3-fluoro-4-methylphenoxy)phenyl]methyl]-2-methoxyethanamine
CID 107169953
N-[[2-(2,3-difluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63070603

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine (CID 107513371) is N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine is COCCNCc1ccc(C)c(F)c1F.
What is the InChIKey of N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine?
The InChIKey is PWXQDBFAQURQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8-3-4-9(11(13)10(8)12)7-14-5-6-15-2/h3-4,14H,5-7H2,1-2H3.
What are the key properties of N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine?
N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine has a molecular weight of 215.24 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluoro-4-methylphenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 107513371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).