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

C16H20ClN2O2+ — CID 7597481

IUPAC[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium
SMILESCC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C16H19ClN2O2/c1-3-18-9-12-4-6-14(15(8-12)20-2)21-11-13-5-7-16(17)19-10-13/h4-8,10,18H,3,9,11H2,1-2H3/p+1
InChIKeyNXEKYOCXPXLAMJ-UHFFFAOYSA-O
MW307.80 g/mol
LogP2.41
Rot. Bonds7

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

[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium (PubChem CID 7597481) has the molecular formula C16H20ClN2O2+ and a molecular weight of 307.80 g/mol. Its IUPAC name is [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium.

Molecular Properties

Compound Name[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium
PubChem CID7597481
Molecular FormulaC16H20ClN2O2+
Molecular Weight307.80 g/mol
Exact Mass307.12
IUPAC Name[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium
SMILESCC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C16H19ClN2O2/c1-3-18-9-12-4-6-14(15(8-12)20-2)21-11-13-5-7-16(17)19-10-13/h4-8,10,18H,3,9,11H2,1-2H3/p+1
InChIKeyNXEKYOCXPXLAMJ-UHFFFAOYSA-O
XLogP2.41
TPSA47.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 52.41
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

benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
2-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium dichloride
CID 44665781
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium
CID 7600659
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]azanium
CID 7247646
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-(1-phenylethyl)azanium chloride
CID 44665971
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine
CID 4719560
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine;hydrochloride
CID 17293943
N'-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4719927
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17294027
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
CID 7228193
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;dihydrochloride
CID 17055824

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium?
The IUPAC name of [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium (CID 7597481) is [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium.
What is the SMILES notation for [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium?
The canonical SMILES for [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium is CC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1.
What is the InChIKey of [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium?
The InChIKey is NXEKYOCXPXLAMJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-18-9-12-4-6-14(15(8-12)20-2)21-11-13-5-7-16(17)19-10-13/h4-8,10,18H,3,9,11H2,1-2H3/p+1.
What are the key properties of [4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium?
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium has a molecular weight of 307.80 g/mol, XLogP of 2.41, 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-ethylazanium is sourced from PubChem (CID 7597481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).