2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine

C9H10F3NO — CID 66073215

IUPAC2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine
SMILESCOC(CN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3NO/c1-14-8(4-13)5-2-6(10)9(12)7(11)3-5/h2-3,8H,4,13H2,1H3
InChIKeyCNYWGDIJZZLWTI-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.75
Rot. Bonds3

About 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine

2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 66073215) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine
PubChem CID66073215
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine
SMILESCOC(CN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C9H10F3NO/c1-14-8(4-13)5-2-6(10)9(12)7(11)3-5/h2-3,8H,4,13H2,1H3
InChIKeyCNYWGDIJZZLWTI-UHFFFAOYSA-N
XLogP1.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-5-fluorophenyl)-2-methoxyethanamine
CID 131054078
2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
CID 66070724
(3S,4R)-4-[2-methoxy-2-(3,4,5-trifluorophenyl)ethyl]pyrrolidin-3-amine
CID 89188665
N,N-bis(2-methoxyethyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63052111
1-(3,4,5-trifluorophenyl)ethane-1,2-diamine;dihydrochloride
CID 71758657
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228
2-(4-chlorophenyl)-2-methoxyethanamine;hydrochloride
CID 54595525
4-(2-amino-1-methoxyethyl)benzene-1,2-diol
CID 54042907
2-(3-iodophenyl)-2-methoxyethanamine
CID 130518588
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 53276116
(2S)-2-ethoxy-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 95001932

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine (CID 66073215) is 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine is COC(CN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is CNYWGDIJZZLWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-14-8(4-13)5-2-6(10)9(12)7(11)3-5/h2-3,8H,4,13H2,1H3.
What are the key properties of 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine?
2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 205.18 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 2-methoxy-2-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 66073215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).