2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine

C13H12F3NO — CID 58611148

IUPAC2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine
SMILESCOC(N)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H12F3NO/c1-18-12(17,13(14,15)16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,17H2,1H3
InChIKeyIDBRFICJUTWSCE-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.16
Rot. Bonds2

About 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine

2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine (PubChem CID 58611148) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine
PubChem CID58611148
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine
SMILESCOC(N)(c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C13H12F3NO/c1-18-12(17,13(14,15)16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,17H2,1H3
InChIKeyIDBRFICJUTWSCE-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-Difluoro-1-methoxypropyl)naphthalene
CID 132514348
2-(Trifluoromethoxymethyl)naphthalene
CID 23627160
N-(3,3,3-trifluoro-1-methoxy-1-naphthalen-2-ylpropyl)acetamide
CID 138966445
N-diphenylphosphoryl-1-ethoxy-2,2,2-trifluoro-1-naphthalen-2-ylethanamine
CID 102386708
2-[1-(Trifluoromethoxy)ethyl]naphthalene
CID 20658837
1-(1-Methoxyethyl)-4-(trifluoromethyl)naphthalene
CID 53759656
1-Phenyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanamine
CID 57100097
alpha-(Trifluoromethyl)-alpha-methoxyphenanthrene-9-methanamine
CID 58611151
2,2,2-Trifluoro-1-methoxy-1-(2-phenylphenyl)ethanamine
CID 58611161
6-[Difluoro(methoxy)methyl]-2-ethyl-3-fluoronaphthalene
CID 58718946
2-[Difluoro(methoxy)methyl]-6-pentylnaphthalene
CID 58719118
2-[Difluoro(methoxy)methyl]-6-heptylnaphthalene
CID 58719120

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine?
The IUPAC name of 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine (CID 58611148) is 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine is COC(N)(c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine?
The InChIKey is IDBRFICJUTWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-18-12(17,13(14,15)16)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,17H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine?
2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine has a molecular weight of 255.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-methoxy-1-naphthalen-2-ylethanamine is sourced from PubChem (CID 58611148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).