1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

C11H14F3NO — CID 82710680

IUPAC1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccc(C(C)NOCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8-3-5-10(6-4-8)9(2)15-16-7-11(12,13)14/h3-6,9,15H,7H2,1-2H3
InChIKeyPPBREDIKTPRFTK-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine

1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82710680) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82710680
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCc1ccc(C(C)NOCC(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c1-8-3-5-10(6-4-8)9(2)15-16-7-11(12,13)14/h3-6,9,15H,7H2,1-2H3
InChIKeyPPBREDIKTPRFTK-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711120
1-(4-methylphenyl)-N-(2-methylpropoxy)ethanamine
CID 82710974
N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 82710637
1-(2-methoxy-5-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712609
N-(2-methoxyethoxy)-1-(4-methylphenyl)ethanamine
CID 82715665
1-(1,3-benzodioxol-5-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82711448
1-(2,5-difluorophenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712392
1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene
CID 86327346
1-(3-methyl-1-benzothiophen-2-yl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712085
2-(4-methylphenyl)sulfanyl-N-(2,2,2-trifluoroethoxy)acetamide
CID 81341154
1-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine
CID 82712048
5-fluoro-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82711475

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82710680) is 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is Cc1ccc(C(C)NOCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is PPBREDIKTPRFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8-3-5-10(6-4-8)9(2)15-16-7-11(12,13)14/h3-6,9,15H,7H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine?
1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 233.23 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82710680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).