2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine

C20H16F3N — CID 159314990

IUPAC2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILES[H]/N=C(/Cc1ccc2cc(C)ccc2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N/c1-13-2-4-17-11-14(3-5-16(17)10-13)12-19(24)15-6-8-18(9-7-15)20(21,22)23/h2-11,24H,12H2,1H3/b24-19-
InChIKeyLDAGPXRYKMTMBS-CLCOLTQESA-N
MW327.35 g/mol
LogP5.78
Rot. Bonds3

About 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine

2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 159314990) has the molecular formula C20H16F3N and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID159314990
Molecular FormulaC20H16F3N
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC Name2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILES[H]/N=C(/Cc1ccc2cc(C)ccc2c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3N/c1-13-2-4-17-11-14(3-5-16(17)10-13)12-19(24)15-6-8-18(9-7-15)20(21,22)23/h2-11,24H,12H2,1H3/b24-19-
InChIKeyLDAGPXRYKMTMBS-CLCOLTQESA-N
XLogP5.78
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.35
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 162565704
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
CID 58426666
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
4-[2-imino-2-[3-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 22897514
1-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]ethanone
CID 154014777
2-imino-N-methyl-2-(4-methylphenyl)ethanamine
CID 142977852
6-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole
CID 116546655
6-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]-1-benzofuran
CID 122202477
2-(2-chloro-4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanone
CID 106865778
4-[4-(trifluoromethyl)phenyl]butan-2-imine
CID 91378279

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 159314990) is 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine is [H]/N=C(/Cc1ccc2cc(C)ccc2c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is LDAGPXRYKMTMBS-CLCOLTQESA-N. The full InChI is InChI=1S/C20H16F3N/c1-13-2-4-17-11-14(3-5-16(17)10-13)12-19(24)15-6-8-18(9-7-15)20(21,22)23/h2-11,24H,12H2,1H3/b24-19-.
What are the key properties of 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine?
2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 327.35 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylnaphthalen-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 159314990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).