2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline

C16H16F3NO — CID 74337625

IUPAC2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline
SMILESCOc1ccccc1NC(C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-15(16(17,18)19,12-8-4-3-5-9-12)20-13-10-6-7-11-14(13)21-2/h3-11,20H,1-2H3
InChIKeyDDSJEBDIEJZFCH-UHFFFAOYSA-N
MW295.30 g/mol
LogP4.58
Rot. Bonds4

About 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline

2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline (PubChem CID 74337625) has the molecular formula C16H16F3NO and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline
PubChem CID74337625
Molecular FormulaC16H16F3NO
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline
SMILESCOc1ccccc1NC(C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H16F3NO/c1-15(16(17,18)19,12-8-4-3-5-9-12)20-13-10-6-7-11-14(13)21-2/h3-11,20H,1-2H3
InChIKeyDDSJEBDIEJZFCH-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
CID 82538820
1-(2-methoxyanilino)-2-phenylpropan-2-ol
CID 62374822
2-(2-methoxyanilino)-3-methyl-2-phenylbutan-1-ol
CID 61048291
2,2,2-trifluoro-1-(2-methoxyphenyl)-1-phenylethanol
CID 11778513
6,6,6-trifluoro-2-N-(2-methoxyphenyl)-2-methylhexane-1,2-diamine
CID 116535345
2-(2-methoxyanilino)-2-propylpentanoic acid
CID 60993872
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
2-methoxy-N-phenylaniline
CID 10910514
2-(2-methoxyanilino)-2,3-dimethylbutan-1-ol
CID 62488457

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline?
The IUPAC name of 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline (CID 74337625) is 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline.
What is the SMILES notation for 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline?
The canonical SMILES for 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline is COc1ccccc1NC(C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline?
The InChIKey is DDSJEBDIEJZFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3NO/c1-15(16(17,18)19,12-8-4-3-5-9-12)20-13-10-6-7-11-14(13)21-2/h3-11,20H,1-2H3.
What are the key properties of 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline?
2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline has a molecular weight of 295.30 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)aniline is sourced from PubChem (CID 74337625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).