N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine

C11H13F4NO — CID 107288905

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4NO/c1-17-5-4-16-7-8-2-3-9(10(12)6-8)11(13,14)15/h2-3,6,16H,4-5,7H2,1H3
InChIKeyTYILQUNFRFIMFM-UHFFFAOYSA-N
MW251.22 g/mol
LogP2.58
Rot. Bonds5

About N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine

N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 107288905) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
PubChem CID107288905
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4NO/c1-17-5-4-16-7-8-2-3-9(10(12)6-8)11(13,14)15/h2-3,6,16H,4-5,7H2,1H3
InChIKeyTYILQUNFRFIMFM-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 52.58
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-ethoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320023
N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320255
N-[[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689137
ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458
N-[(3-fluoro-4-propan-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63807890
N-ethyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63060724
1-[2-fluoro-4-[(2-methoxyethylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 107689136
N-[[4-butan-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320254
N-[[4-but-3-ynoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320118
1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63320117
2-methoxy-N-[[4-(2-methylprop-2-enoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319465
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine (CID 107288905) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine is COCCNCc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is TYILQUNFRFIMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-17-5-4-16-7-8-2-3-9(10(12)6-8)11(13,14)15/h2-3,6,16H,4-5,7H2,1H3.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 251.22 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 107288905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).