N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine

C16H20F3N — CID 153345587

IUPACN-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine
SMILESCCC/C(C)=N/c1cc(C2CC2)c(C(F)(F)F)cc1C
InChIInChI=1S/C16H20F3N/c1-4-5-11(3)20-15-9-13(12-6-7-12)14(8-10(15)2)16(17,18)19/h8-9,12H,4-7H2,1-3H3/b20-11+
InChIKeySAJDGNINMOMYCR-RGVLZGJSSA-N
MW283.34 g/mol
LogP5.78
Rot. Bonds4

About N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine

N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine (PubChem CID 153345587) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine.

Molecular Properties

Compound NameN-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine
PubChem CID153345587
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine
SMILESCCC/C(C)=N/c1cc(C2CC2)c(C(F)(F)F)cc1C
InChIInChI=1S/C16H20F3N/c1-4-5-11(3)20-15-9-13(12-6-7-12)14(8-10(15)2)16(17,18)19/h8-9,12H,4-7H2,1-3H3/b20-11+
InChIKeySAJDGNINMOMYCR-RGVLZGJSSA-N
XLogP5.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.34
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methylcyclobutane;2-[3-methyl-4-(pentan-2-ylideneamino)-5-(trifluoromethyl)phenyl]propan-2-ol
CID 153345852
N-[4-bromo-2-methyl-6-(trifluoromethyl)phenyl]pentan-2-imine
CID 153345914
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
N-(5-fluoro-2,4-dimethylphenyl)butan-2-imine;methylcyclopropane
CID 154643413
1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 168958846
4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139880265
2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine
CID 167506599
1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
CID 126723002
ethyl 5-[4-cyclobutyl-3-(trifluoromethyl)phenyl]pentanoate
CID 158160937
1,1-dimethylcyclobutane;2-[3-methyl-4-(pentan-2-ylideneamino)phenyl]propan-2-ol;1-(2,2,3,3-tetrafluorocyclobutyl)butan-2-one
CID 153346131
4-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
CID 171656655
2-chloro-5-cyclopropyl-1-methyl-3-(trifluoromethyl)benzene
CID 67962907

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine?
The IUPAC name of N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine (CID 153345587) is N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine.
What is the SMILES notation for N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine?
The canonical SMILES for N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine is CCC/C(C)=N/c1cc(C2CC2)c(C(F)(F)F)cc1C.
What is the InChIKey of N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine?
The InChIKey is SAJDGNINMOMYCR-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H20F3N/c1-4-5-11(3)20-15-9-13(12-6-7-12)14(8-10(15)2)16(17,18)19/h8-9,12H,4-7H2,1-3H3/b20-11+.
What are the key properties of N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine?
N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine has a molecular weight of 283.34 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-2-methyl-4-(trifluoromethyl)phenyl]pentan-2-imine is sourced from PubChem (CID 153345587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).