(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine

C13H12F3NO — CID 29081387

IUPAC(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
SMILESCOc1ccc([C@@H](N)C(F)(F)F)c2ccccc12
InChIInChI=1S/C13H12F3NO/c1-18-11-7-6-10(12(17)13(14,15)16)8-4-2-3-5-9(8)11/h2-7,12H,17H2,1H3/t12-/m1/s1
InChIKeyLWYOQYNASKLWLW-GFCCVEGCSA-N
MW255.24 g/mol
LogP3.41
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine

(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine (PubChem CID 29081387) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
PubChem CID29081387
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
SMILESCOc1ccc([C@@H](N)C(F)(F)F)c2ccccc12
InChIInChI=1S/C13H12F3NO/c1-18-11-7-6-10(12(17)13(14,15)16)8-4-2-3-5-9(8)11/h2-7,12H,17H2,1H3/t12-/m1/s1
InChIKeyLWYOQYNASKLWLW-GFCCVEGCSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
2-bromo-2,2-difluoro-1-(4-methoxynaphthalen-1-yl)ethanol
CID 107140252
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
CID 2202790
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
(2-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150768
(1R)-1-(4-methoxynaphthalen-1-yl)-3-methylbutan-1-amine;hydrochloride
CID 171213236
1-[(1S)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethyl]piperazine
CID 171177719
(1R)-1-(5-chloro-2-methoxyphenyl)-2,2,2-trifluoroethanamine
CID 56971852

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine (CID 29081387) is (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine is COc1ccc([C@@H](N)C(F)(F)F)c2ccccc12.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine?
The InChIKey is LWYOQYNASKLWLW-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H12F3NO/c1-18-11-7-6-10(12(17)13(14,15)16)8-4-2-3-5-9(8)11/h2-7,12H,17H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine?
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine has a molecular weight of 255.24 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine is sourced from PubChem (CID 29081387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).