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

C18H16F3N — CID 70487658

IUPACN-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESC/N=C1\CCC(c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C18H16F3N/c1-22-17-10-9-14(15-7-2-3-8-16(15)17)12-5-4-6-13(11-12)18(19,20)21/h2-8,11,14H,9-10H2,1H3/b22-17+
InChIKeyIWNASFAWDLBFQQ-OQKWZONESA-N
MW303.33 g/mol
LogP5.05
Rot. Bonds1

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

N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 70487658) has the molecular formula C18H16F3N and a molecular weight of 303.33 g/mol. Its IUPAC name is N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound NameN-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID70487658
Molecular FormulaC18H16F3N
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC NameN-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESC/N=C1\CCC(c2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C18H16F3N/c1-22-17-10-9-14(15-7-2-3-8-16(15)17)12-5-4-6-13(11-12)18(19,20)21/h2-8,11,14H,9-10H2,1H3/b22-17+
InChIKeyIWNASFAWDLBFQQ-OQKWZONESA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine (CID 70487658) is N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine is C/N=C1\CCC(c2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is IWNASFAWDLBFQQ-OQKWZONESA-N. The full InChI is InChI=1S/C18H16F3N/c1-22-17-10-9-14(15-7-2-3-8-16(15)17)12-5-4-6-13(11-12)18(19,20)21/h2-8,11,14H,9-10H2,1H3/b22-17+.
What are the key properties of N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 303.33 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 70487658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).