1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride

C19H28Cl3NO2 — CID 88677114

IUPAC1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride
SMILESCl.[H]/N=C(/CCC(CC)Oc1cc(Cl)cc(Cl)c1OC)C1CCCCC1
InChIInChI=1S/C19H27Cl2NO2.ClH/c1-3-15(9-10-17(22)13-7-5-4-6-8-13)24-18-12-14(20)11-16(21)19(18)23-2;/h11-13,15,22H,3-10H2,1-2H3;1H/b22-17-;
InChIKeyPXGWUNLKJDCIGQ-JJECXDOKSA-N
MW408.80 g/mol
LogP6.96
Rot. Bonds8

About 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride

1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride (PubChem CID 88677114) has the molecular formula C19H28Cl3NO2 and a molecular weight of 408.80 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride
PubChem CID88677114
Molecular FormulaC19H28Cl3NO2
Molecular Weight408.80 g/mol
Exact Mass407.12
IUPAC Name1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride
SMILESCl.[H]/N=C(/CCC(CC)Oc1cc(Cl)cc(Cl)c1OC)C1CCCCC1
InChIInChI=1S/C19H27Cl2NO2.ClH/c1-3-15(9-10-17(22)13-7-5-4-6-8-13)24-18-12-14(20)11-16(21)19(18)23-2;/h11-13,15,22H,3-10H2,1-2H3;1H/b22-17-;
InChIKeyPXGWUNLKJDCIGQ-JJECXDOKSA-N
XLogP6.96
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 154101091
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CID 23318292
2-[1-(3,5-dichloro-2-methoxyphenoxy)ethyl]-1-prop-2-enylpyrrolidine
CID 70520039
(3-chloro-4,5-dimethoxyphenyl)-cycloheptylmethanol
CID 82931298
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
CID 110782988
1-cyclohexyl-3-methylbutan-1-imine
CID 129070269
1-cyclohexyl-2-[2-(3,5-dichloro-2-methoxyphenoxy)ethyl]pyrrolidine;phosphoric acid
CID 88723925
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 6457206
(3-chloro-4,5-dimethoxyphenyl)-cyclopentylmethanol
CID 54878443
N-[(3,5-dichloro-2-methoxyphenyl)methyl]-1-(1-ethylpyrrolidin-2-yl)methanamine;dihydrochloride
CID 17213687
1-[1-[(3,5-dichloro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 110022533
ethyl (3R)-1-(3-chloro-4,5-dimethoxybenzoyl)piperidine-3-carboxylate
CID 30880442

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride?
The IUPAC name of 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride (CID 88677114) is 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride is Cl.[H]/N=C(/CCC(CC)Oc1cc(Cl)cc(Cl)c1OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride?
The InChIKey is PXGWUNLKJDCIGQ-JJECXDOKSA-N. The full InChI is InChI=1S/C19H27Cl2NO2.ClH/c1-3-15(9-10-17(22)13-7-5-4-6-8-13)24-18-12-14(20)11-16(21)19(18)23-2;/h11-13,15,22H,3-10H2,1-2H3;1H/b22-17-;.
What are the key properties of 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride?
1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride has a molecular weight of 408.80 g/mol, XLogP of 6.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3,5-dichloro-2-methoxyphenoxy)hexan-1-imine;hydrochloride is sourced from PubChem (CID 88677114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).