3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline

C15H14F3NO — CID 15310332

IUPAC3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline
SMILESCOc1cccc(NC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-20-13-9-5-8-12(10-13)19-14(15(16,17)18)11-6-3-2-4-7-11/h2-10,14,19H,1H3
InChIKeyBNWLZLKBDIDPLE-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.41
Rot. Bonds4

About 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline

3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline (PubChem CID 15310332) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline.

Molecular Properties

Compound Name3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline
PubChem CID15310332
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline
SMILESCOc1cccc(NC(c2ccccc2)C(F)(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-20-13-9-5-8-12(10-13)19-14(15(16,17)18)11-6-3-2-4-7-11/h2-10,14,19H,1H3
InChIKeyBNWLZLKBDIDPLE-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
CID 107811192
3-(3-methoxyanilino)-3-phenylpropanenitrile
CID 62779366
N-[(2S)-3,3-dimethylbutan-2-yl]-3-methoxyaniline
CID 143680816
N'-(3-methoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806261
N-[(1S)-2,2-dimethyl-1-phenylpropyl]-4-methoxyaniline
CID 11219419
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
2-hydroxy-N-(3-methoxyphenyl)-2-phenylacetamide
CID 82132314
3-methoxy-N-[(2S)-4-phenylbutan-2-yl]aniline
CID 29291478
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
2-anilino-2-(3-methoxyphenyl)acetamide
CID 54889449
N-[1-(3,4-difluorophenyl)ethyl]-3-methoxyaniline
CID 43196392

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The IUPAC name of 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline (CID 15310332) is 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline.
What is the SMILES notation for 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The canonical SMILES for 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline is COc1cccc(NC(c2ccccc2)C(F)(F)F)c1.
What is the InChIKey of 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
The InChIKey is BNWLZLKBDIDPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-20-13-9-5-8-12(10-13)19-14(15(16,17)18)11-6-3-2-4-7-11/h2-10,14,19H,1H3.
What are the key properties of 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline?
3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline has a molecular weight of 281.28 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)aniline is sourced from PubChem (CID 15310332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).