1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine

C14H17Cl2N — CID 87537305

IUPAC1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine
SMILES[H]/N=C(\C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H17Cl2N/c1-10(17)14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8H2,1H3/b17-10+
InChIKeyFYKWITXKGPSELF-LICLKQGHSA-N
MW270.20 g/mol
LogP5.23
Rot. Bonds2

About 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine

1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine (PubChem CID 87537305) has the molecular formula C14H17Cl2N and a molecular weight of 270.20 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine
PubChem CID87537305
Molecular FormulaC14H17Cl2N
Molecular Weight270.20 g/mol
Exact Mass269.07
IUPAC Name1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine
SMILES[H]/N=C(\C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1
InChIInChI=1S/C14H17Cl2N/c1-10(17)14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8H2,1H3/b17-10+
InChIKeyFYKWITXKGPSELF-LICLKQGHSA-N
XLogP5.23
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.20
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine 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 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine (CID 87537305) is 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine is [H]/N=C(\C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine?
The InChIKey is FYKWITXKGPSELF-LICLKQGHSA-N. The full InChI is InChI=1S/C14H17Cl2N/c1-10(17)14(7-3-2-4-8-14)11-5-6-12(15)13(16)9-11/h5-6,9,17H,2-4,7-8H2,1H3/b17-10+.
What are the key properties of 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine?
1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine has a molecular weight of 270.20 g/mol, XLogP of 5.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)cyclohexyl]ethanimine is sourced from PubChem (CID 87537305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).