(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride

C18H21Cl4N2O2- — CID 22123182

IUPAC(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride
SMILESCOc1ccc(C[NH2+]c2c(Cl)cncc2Cl)cc1OC1CCCC1.[Cl-].[Cl-]
InChIInChI=1S/C18H20Cl2N2O2.2ClH/c1-23-16-7-6-12(8-17(16)24-13-4-2-3-5-13)9-22-18-14(19)10-21-11-15(18)20;;/h6-8,10-11,13H,2-5,9H2,1H3,(H,21,22);2*1H/p-1
InChIKeySMIXEPHOYIHZKE-UHFFFAOYSA-M
MW439.19 g/mol
LogP-1.88
Rot. Bonds6

About (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride

(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride (PubChem CID 22123182) has the molecular formula C18H21Cl4N2O2- and a molecular weight of 439.19 g/mol. Its IUPAC name is (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride.

Molecular Properties

Compound Name(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride
PubChem CID22123182
Molecular FormulaC18H21Cl4N2O2-
Molecular Weight439.19 g/mol
Exact Mass437.04
IUPAC Name(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride
SMILESCOc1ccc(C[NH2+]c2c(Cl)cncc2Cl)cc1OC1CCCC1.[Cl-].[Cl-]
InChIInChI=1S/C18H20Cl2N2O2.2ClH/c1-23-16-7-6-12(8-17(16)24-13-4-2-3-5-13)9-22-18-14(19)10-21-11-15(18)20;;/h6-8,10-11,13H,2-5,9H2,1H3,(H,21,22);2*1H/p-1
InChIKeySMIXEPHOYIHZKE-UHFFFAOYSA-M
XLogP-1.88
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.19
LogP ≤ 5-1.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-4-[(3-cyclopentyloxy-4-methoxyphenoxy)methyl]pyridine
CID 21187965
1,3-dichloro-2-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]benzene
CID 21221257
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
CID 152616446
1-[2-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-3-(3,5-dichloro-4-pyridinyl)thiourea
CID 983123
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
N-amino-3-cyclopentyloxy-N-(3,5-dichloro-4-pyridinyl)-4-methoxybenzenecarboximidamide
CID 22123188
1-(3-cyclobutyloxy-4-methoxyphenyl)-N-methoxymethanamine
CID 117346957
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine
CID 174896705
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029

Frequently Asked Questions

What is the IUPAC name of (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride?
The IUPAC name of (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride (CID 22123182) is (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride.
What is the SMILES notation for (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride?
The canonical SMILES for (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride is COc1ccc(C[NH2+]c2c(Cl)cncc2Cl)cc1OC1CCCC1.[Cl-].[Cl-].
What is the InChIKey of (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride?
The InChIKey is SMIXEPHOYIHZKE-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H20Cl2N2O2.2ClH/c1-23-16-7-6-12(8-17(16)24-13-4-2-3-5-13)9-22-18-14(19)10-21-11-15(18)20;;/h6-8,10-11,13H,2-5,9H2,1H3,(H,21,22);2*1H/p-1.
What are the key properties of (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride?
(3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride has a molecular weight of 439.19 g/mol, XLogP of -1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopentyloxy-4-methoxyphenyl)methyl-(3,5-dichloro-4-pyridinyl)azanium dichloride is sourced from PubChem (CID 22123182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).