N-methoxy-1-(3,4,5-trifluorophenyl)methanamine

C8H8F3NO — CID 82706221

IUPACN-methoxy-1-(3,4,5-trifluorophenyl)methanamine
SMILESCONCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H8F3NO/c1-13-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,12H,4H2,1H3
InChIKeySOOMRXQNMCFBFS-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.75
Rot. Bonds3

About N-methoxy-1-(3,4,5-trifluorophenyl)methanamine

N-methoxy-1-(3,4,5-trifluorophenyl)methanamine (PubChem CID 82706221) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is N-methoxy-1-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(3,4,5-trifluorophenyl)methanamine
PubChem CID82706221
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC NameN-methoxy-1-(3,4,5-trifluorophenyl)methanamine
SMILESCONCc1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H8F3NO/c1-13-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,12H,4H2,1H3
InChIKeySOOMRXQNMCFBFS-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
CID 117289981
1-(3-chloro-5-fluoro-4-methylsulfanylphenyl)-N-methoxymethanamine
CID 117343938
1-(3-ethyl-5-fluorophenyl)-N-methoxymethanamine
CID 117279572
1-(3,5-dimethylphenyl)-N-methoxymethanamine
CID 60702400
N-[(3,4,5-trifluorophenyl)methyl]thiohydroxylamine
CID 155699615
1-[4-[(dimethylamino)methyl]-3-fluorophenyl]-N-methoxymethanamine
CID 117303185
2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine
CID 135352333
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
1-(3,4-dimethoxyphenyl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 119113161

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of N-methoxy-1-(3,4,5-trifluorophenyl)methanamine (CID 82706221) is N-methoxy-1-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for N-methoxy-1-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for N-methoxy-1-(3,4,5-trifluorophenyl)methanamine is CONCc1cc(F)c(F)c(F)c1.
What is the InChIKey of N-methoxy-1-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is SOOMRXQNMCFBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-13-12-4-5-2-6(9)8(11)7(10)3-5/h2-3,12H,4H2,1H3.
What are the key properties of N-methoxy-1-(3,4,5-trifluorophenyl)methanamine?
N-methoxy-1-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 191.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 82706221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).