6-chloro-3-phenylhexan-2-imine;ethane

C14H22ClN — CID 143949829

IUPAC6-chloro-3-phenylhexan-2-imine;ethane
SMILESCC.[H]/N=C(\C)C(CCCCl)c1ccccc1
InChIInChI=1S/C12H16ClN.C2H6/c1-10(14)12(8-5-9-13)11-6-3-2-4-7-11;1-2/h2-4,6-7,12,14H,5,8-9H2,1H3;1-2H3/b14-10+;
InChIKeyFULHLZUEWKVJKS-KMZJGFRYSA-N
MW239.79 g/mol
LogP4.86
Rot. Bonds5

About 6-chloro-3-phenylhexan-2-imine;ethane

6-chloro-3-phenylhexan-2-imine;ethane (PubChem CID 143949829) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 6-chloro-3-phenylhexan-2-imine;ethane.

Molecular Properties

Compound Name6-chloro-3-phenylhexan-2-imine;ethane
PubChem CID143949829
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name6-chloro-3-phenylhexan-2-imine;ethane
SMILESCC.[H]/N=C(\C)C(CCCCl)c1ccccc1
InChIInChI=1S/C12H16ClN.C2H6/c1-10(14)12(8-5-9-13)11-6-3-2-4-7-11;1-2/h2-4,6-7,12,14H,5,8-9H2,1H3;1-2H3/b14-10+;
InChIKeyFULHLZUEWKVJKS-KMZJGFRYSA-N
XLogP4.86
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-chloro-3-phenylhexan-2-imine;ethane 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 6-chloro-3-phenylhexan-2-imine;ethane?
The IUPAC name of 6-chloro-3-phenylhexan-2-imine;ethane (CID 143949829) is 6-chloro-3-phenylhexan-2-imine;ethane.
What is the SMILES notation for 6-chloro-3-phenylhexan-2-imine;ethane?
The canonical SMILES for 6-chloro-3-phenylhexan-2-imine;ethane is CC.[H]/N=C(\C)C(CCCCl)c1ccccc1.
What is the InChIKey of 6-chloro-3-phenylhexan-2-imine;ethane?
The InChIKey is FULHLZUEWKVJKS-KMZJGFRYSA-N. The full InChI is InChI=1S/C12H16ClN.C2H6/c1-10(14)12(8-5-9-13)11-6-3-2-4-7-11;1-2/h2-4,6-7,12,14H,5,8-9H2,1H3;1-2H3/b14-10+;.
What are the key properties of 6-chloro-3-phenylhexan-2-imine;ethane?
6-chloro-3-phenylhexan-2-imine;ethane has a molecular weight of 239.79 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenylhexan-2-imine;ethane is sourced from PubChem (CID 143949829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).