1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine

C11H14F3NO — CID 82711210

IUPAC1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1ccc(CNOCC(F)(F)F)cc1C
InChIInChI=1S/C11H14F3NO/c1-8-3-4-10(5-9(8)2)6-15-16-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3
InChIKeyVXCJTVVSCWXCMI-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.89
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine

1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine (PubChem CID 82711210) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
PubChem CID82711210
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
SMILESCc1ccc(CNOCC(F)(F)F)cc1C
InChIInChI=1S/C11H14F3NO/c1-8-3-4-10(5-9(8)2)6-15-16-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3
InChIKeyVXCJTVVSCWXCMI-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.89
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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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine (CID 82711210) is 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine is Cc1ccc(CNOCC(F)(F)F)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
The InChIKey is VXCJTVVSCWXCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8-3-4-10(5-9(8)2)6-15-16-7-11(12,13)14/h3-5,15H,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine?
1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine has a molecular weight of 233.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine is sourced from PubChem (CID 82711210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).