N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine

C18H27F2N — CID 143148167

IUPACN-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine
SMILESC=Nc1cc(CCC)c(CCC)c(C)c1CCC(C)(F)F
InChIInChI=1S/C18H27F2N/c1-6-8-14-12-17(21-5)16(10-11-18(4,19)20)13(3)15(14)9-7-2/h12H,5-11H2,1-4H3
InChIKeyKFDNZNQERPOKAY-UHFFFAOYSA-N
MW295.42 g/mol
LogP5.82
Rot. Bonds8

About N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine

N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine (PubChem CID 143148167) has the molecular formula C18H27F2N and a molecular weight of 295.42 g/mol. Its IUPAC name is N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine.

Molecular Properties

Compound NameN-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine
PubChem CID143148167
Molecular FormulaC18H27F2N
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC NameN-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine
SMILESC=Nc1cc(CCC)c(CCC)c(C)c1CCC(C)(F)F
InChIInChI=1S/C18H27F2N/c1-6-8-14-12-17(21-5)16(10-11-18(4,19)20)13(3)15(14)9-7-2/h12H,5-11H2,1-4H3
InChIKeyKFDNZNQERPOKAY-UHFFFAOYSA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.42
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine?
The IUPAC name of N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine (CID 143148167) is N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine.
What is the SMILES notation for N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine?
The canonical SMILES for N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine is C=Nc1cc(CCC)c(CCC)c(C)c1CCC(C)(F)F.
What is the InChIKey of N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine?
The InChIKey is KFDNZNQERPOKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2N/c1-6-8-14-12-17(21-5)16(10-11-18(4,19)20)13(3)15(14)9-7-2/h12H,5-11H2,1-4H3.
What are the key properties of N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine?
N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine has a molecular weight of 295.42 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluorobutyl)-3-methyl-4,5-dipropylphenyl]methanimine is sourced from PubChem (CID 143148167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).