[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium

C20H26ClN2O2+ — CID 7600659

IUPAC[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium
SMILESCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C20H25ClN2O2/c1-24-19-11-15(12-22-17-5-3-2-4-6-17)7-9-18(19)25-14-16-8-10-20(21)23-13-16/h7-11,13,17,22H,2-6,12,14H2,1H3/p+1
InChIKeySYVLLAJNSBURQV-UHFFFAOYSA-O
MW361.89 g/mol
LogP3.72
Rot. Bonds7

About [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium

[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium (PubChem CID 7600659) has the molecular formula C20H26ClN2O2+ and a molecular weight of 361.89 g/mol. Its IUPAC name is [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium.

Molecular Properties

Compound Name[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium
PubChem CID7600659
Molecular FormulaC20H26ClN2O2+
Molecular Weight361.89 g/mol
Exact Mass361.17
IUPAC Name[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium
SMILESCOc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)nc1
InChIInChI=1S/C20H25ClN2O2/c1-24-19-11-15(12-22-17-5-3-2-4-6-17)7-9-18(19)25-14-16-8-10-20(21)23-13-16/h7-11,13,17,22H,2-6,12,14H2,1H3/p+1
InChIKeySYVLLAJNSBURQV-UHFFFAOYSA-O
XLogP3.72
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium
CID 7597481
benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium
CID 7247646
2-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium dichloride
CID 44665781
cyclohexyl-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]azanium
CID 8637975
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7579610
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-(1-phenylethyl)azanium chloride
CID 44665971
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]cyclooctanamine;dihydrochloride
CID 17055896
(3-bromo-4-methoxyphenyl)methyl-cyclopentylazanium
CID 4743348
1-[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]-N-(oxolan-2-ylmethyl)methanimine
CID 3607678
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine
CID 979882

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium?
The IUPAC name of [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium (CID 7600659) is [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium.
What is the SMILES notation for [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium?
The canonical SMILES for [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium is COc1cc(C[NH2+]C2CCCCC2)ccc1OCc1ccc(Cl)nc1.
What is the InChIKey of [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium?
The InChIKey is SYVLLAJNSBURQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25ClN2O2/c1-24-19-11-15(12-22-17-5-3-2-4-6-17)7-9-18(19)25-14-16-8-10-20(21)23-13-16/h7-11,13,17,22H,2-6,12,14H2,1H3/p+1.
What are the key properties of [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium?
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium has a molecular weight of 361.89 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium is sourced from PubChem (CID 7600659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).