N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline

C20H22F2N2 — CID 4067906

IUPACN-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline
SMILESCC(=NNc1ccc(F)cc1F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H22F2N2/c1-14(23-24-20-12-11-18(21)13-19(20)22)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h7-13,16,24H,2-6H2,1H3
InChIKeyLRKPLSHZDBCESQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.85
Rot. Bonds4

About N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline

N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline (PubChem CID 4067906) has the molecular formula C20H22F2N2 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline
PubChem CID4067906
Molecular FormulaC20H22F2N2
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline
SMILESCC(=NNc1ccc(F)cc1F)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C20H22F2N2/c1-14(23-24-20-12-11-18(21)13-19(20)22)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h7-13,16,24H,2-6H2,1H3
InChIKeyLRKPLSHZDBCESQ-UHFFFAOYSA-N
XLogP5.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.85
H-Bond Donors ≤ 51
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

N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-2,4-difluoroaniline
CID 9058365
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 4318963
1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
4-[2-[1-(4-cyclohexylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 3435837
2-[4-[(Z)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]phenoxy]-1-piperidin-1-ylethanone
CID 9058315
4-[(E)-N-(2,4-difluoroanilino)-C-methylcarbonimidoyl]-2-(piperidin-1-ylmethyl)phenol
CID 135588191
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-methylbenzamide
CID 4581588
2,4-difluoro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 18224635
N-[(E)-1-(4-cyclohexylphenyl)ethylideneamino]-4,5-dimethyl-1,3-thiazol-2-amine
CID 126057800
3-chloro-N-[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 6163520
N-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 4298976
N-(2,4-difluorophenyl)-4-fluorobenzenecarbohydrazonoyl chloride
CID 145433145

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline?
The IUPAC name of N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline (CID 4067906) is N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline.
What is the SMILES notation for N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline?
The canonical SMILES for N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline is CC(=NNc1ccc(F)cc1F)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline?
The InChIKey is LRKPLSHZDBCESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2/c1-14(23-24-20-12-11-18(21)13-19(20)22)15-7-9-17(10-8-15)16-5-3-2-4-6-16/h7-13,16,24H,2-6H2,1H3.
What are the key properties of N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline?
N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline has a molecular weight of 328.41 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclohexylphenyl)ethylideneamino]-2,4-difluoroaniline is sourced from PubChem (CID 4067906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).