1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide

C14H17Cl2NO2 — CID 5359148

IUPAC1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide
SMILES[O-]/[N+](=C\c1c(Cl)cccc1Cl)CC1(O)CCCCC1
InChIInChI=1S/C14H17Cl2NO2/c15-12-5-4-6-13(16)11(12)9-17(19)10-14(18)7-2-1-3-8-14/h4-6,9,18H,1-3,7-8,10H2/b17-9-
InChIKeyPSLLPYSMNCHSMW-MFOYZWKCSA-N
MW302.20 g/mol
LogP3.62
Rot. Bonds3

About 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide

1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide (PubChem CID 5359148) has the molecular formula C14H17Cl2NO2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide
PubChem CID5359148
Molecular FormulaC14H17Cl2NO2
Molecular Weight302.20 g/mol
Exact Mass301.06
IUPAC Name1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide
SMILES[O-]/[N+](=C\c1c(Cl)cccc1Cl)CC1(O)CCCCC1
InChIInChI=1S/C14H17Cl2NO2/c15-12-5-4-6-13(16)11(12)9-17(19)10-14(18)7-2-1-3-8-14/h4-6,9,18H,1-3,7-8,10H2/b17-9-
InChIKeyPSLLPYSMNCHSMW-MFOYZWKCSA-N
XLogP3.62
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.62
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide 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-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide (CID 5359148) is 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide is [O-]/[N+](=C\c1c(Cl)cccc1Cl)CC1(O)CCCCC1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide?
The InChIKey is PSLLPYSMNCHSMW-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H17Cl2NO2/c15-12-5-4-6-13(16)11(12)9-17(19)10-14(18)7-2-1-3-8-14/h4-6,9,18H,1-3,7-8,10H2/b17-9-.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide?
1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide has a molecular weight of 302.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(1-hydroxycyclohexyl)methyl]methanimine oxide is sourced from PubChem (CID 5359148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).