6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine

C19H18F3NO — CID 143114619

IUPAC6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine
SMILESCc1ccc2c(c1)CCCC2=NOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO/c1-13-5-10-17-15(11-13)3-2-4-18(17)23-24-12-14-6-8-16(9-7-14)19(20,21)22/h5-11H,2-4,12H2,1H3
InChIKeyILFDSBAOJRYSKN-UHFFFAOYSA-N
MW333.35 g/mol
LogP5.27
Rot. Bonds3

About 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine

6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 143114619) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID143114619
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine
SMILESCc1ccc2c(c1)CCCC2=NOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO/c1-13-5-10-17-15(11-13)3-2-4-18(17)23-24-12-14-6-8-16(9-7-14)19(20,21)22/h5-11H,2-4,12H2,1H3
InChIKeyILFDSBAOJRYSKN-UHFFFAOYSA-N
XLogP5.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561576
2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
CID 155884396
(5S)-5-benzyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 71561705
4-Phenyl-1h-2,3-benzoxazine
CID 269835
Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-,O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]oxime, (1E)-
CID 123382840
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 71680803
(Z)-(ethyl N-{[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}ethanecarboximidate)
CID 126723001
Siponimod Impurity 27
CID 126723004
4-(3,4-difluorophenyl)-1H-2,3-benzoxazine
CID 76316090
4-[3-(trifluoromethyl)phenyl]-1H-2,3-benzoxazine
CID 76319807
(Z)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)-N-phenylmethoxyethanimine
CID 152757650
(5S)-5-phenyl-5-(phenylselanylmethyl)-3-[4-(trifluoromethyl)phenyl]-4H-1,2-oxazole
CID 164668272

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine (CID 143114619) is 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine is Cc1ccc2c(c1)CCCC2=NOCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is ILFDSBAOJRYSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-13-5-10-17-15(11-13)3-2-4-18(17)23-24-12-14-6-8-16(9-7-14)19(20,21)22/h5-11H,2-4,12H2,1H3.
What are the key properties of 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine?
6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 333.35 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 143114619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).