2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine

C16H16F3NO — CID 61227088

IUPAC2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccccc1CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-21-14-10-6-5-9-13(14)11-20-15(16(17,18)19)12-7-3-2-4-8-12/h2-10,15,20H,11H2,1H3
InChIKeyCRTADFJLXGTEJG-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.09
Rot. Bonds5

About 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine

2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine (PubChem CID 61227088) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
PubChem CID61227088
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine
SMILESCOc1ccccc1CNC(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-21-14-10-6-5-9-13(14)11-20-15(16(17,18)19)12-7-3-2-4-8-12/h2-10,15,20H,11H2,1H3
InChIKeyCRTADFJLXGTEJG-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
(1R,2S)-2-[(2-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 54310024
(2S)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482360
(2R)-1,1,1-trifluoro-3-[(2-methoxyphenyl)methylamino]propan-2-ol
CID 1482361
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
(2R)-2-N-[(2-methoxyphenyl)methyl]propane-1,2-diamine
CID 104867958
N-[(2,3-dimethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 30611700
N-[(3-ethyl-2-pyridinyl)methyl]-2,2,2-trifluoro-1-phenylethanamine
CID 82737451
2-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylbutanamide
CID 122144681

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine (CID 61227088) is 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine is COc1ccccc1CNC(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine?
The InChIKey is CRTADFJLXGTEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-21-14-10-6-5-9-13(14)11-20-15(16(17,18)19)12-7-3-2-4-8-12/h2-10,15,20H,11H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine?
2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine has a molecular weight of 295.30 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2-methoxyphenyl)methyl]-1-phenylethanamine is sourced from PubChem (CID 61227088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).