2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine

C10H12F3NO — CID 20690584

IUPAC2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine
SMILESCc1ccc(CONCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-8-2-4-9(5-3-8)6-15-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyXXFQEIPVSKXJPF-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.58
Rot. Bonds4

About 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine

2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine (PubChem CID 20690584) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine
PubChem CID20690584
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine
SMILESCc1ccc(CONCC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NO/c1-8-2-4-9(5-3-8)6-15-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3
InChIKeyXXFQEIPVSKXJPF-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 217575
CID 217575
CID 13417387
CID 13417387
CID 18526040
CID 18526040
CID 251744
CID 251744
CID 13736428
CID 13736428
CID 15366667
CID 15366667
CID 18361386
CID 18361386
CID 21740253
CID 21740253
CID 127037839
CID 127037839
CID 2737778
CID 2737778
CID 25137638
CID 25137638
CID 10558981
CID 10558981

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine (CID 20690584) is 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine is Cc1ccc(CONCC(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine?
The InChIKey is XXFQEIPVSKXJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-8-2-4-9(5-3-8)6-15-14-7-10(11,12)13/h2-5,14H,6-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine?
2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-methylphenyl)methoxy]ethanamine is sourced from PubChem (CID 20690584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).