N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine

C16H14F3NO — CID 2737844

IUPACN-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCOc1ccc(C/N=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO/c1-21-15-8-4-13(5-9-15)11-20-10-12-2-6-14(7-3-12)16(17,18)19/h2-10H,11H2,1H3/b20-10+
InChIKeyIVQVAVZZEARIBM-KEBDBYFISA-N
MW293.29 g/mol
LogP4.33
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine

N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 2737844) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID2737844
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCOc1ccc(C/N=C/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO/c1-21-15-8-4-13(5-9-15)11-20-10-12-2-6-14(7-3-12)16(17,18)19/h2-10H,11H2,1H3/b20-10+
InChIKeyIVQVAVZZEARIBM-KEBDBYFISA-N
XLogP4.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine (CID 2737844) is N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine is COc1ccc(C/N=C/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is IVQVAVZZEARIBM-KEBDBYFISA-N. The full InChI is InChI=1S/C16H14F3NO/c1-21-15-8-4-13(5-9-15)11-20-10-12-2-6-14(7-3-12)16(17,18)19/h2-10H,11H2,1H3/b20-10+.
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine?
N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 293.29 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 2737844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).