(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium

C15H18ClN2O+ — CID 7228232

IUPAC(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
SMILESCCOc1ccc(Cl)cc1C[NH2+]Cc1ccncc1
InChIInChI=1S/C15H17ClN2O/c1-2-19-15-4-3-14(16)9-13(15)11-18-10-12-5-7-17-8-6-12/h3-9,18H,2,10-11H2,1H3/p+1
InChIKeyCFMYSTGMGCYQGF-UHFFFAOYSA-O
MW277.78 g/mol
LogP2.40
Rot. Bonds6

About (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium

(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium (PubChem CID 7228232) has the molecular formula C15H18ClN2O+ and a molecular weight of 277.78 g/mol. Its IUPAC name is (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium.

Molecular Properties

Compound Name(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
PubChem CID7228232
Molecular FormulaC15H18ClN2O+
Molecular Weight277.78 g/mol
Exact Mass277.11
IUPAC Name(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium
SMILESCCOc1ccc(Cl)cc1C[NH2+]Cc1ccncc1
InChIInChI=1S/C15H17ClN2O/c1-2-19-15-4-3-14(16)9-13(15)11-18-10-12-5-7-17-8-6-12/h3-9,18H,2,10-11H2,1H3/p+1
InChIKeyCFMYSTGMGCYQGF-UHFFFAOYSA-O
XLogP2.40
TPSA38.73 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(5-chloro-2-ethoxyphenyl)methylazaniumyl]methyl]benzoate
CID 40725772
1,3-benzodioxol-5-ylmethyl-[(5-chloro-2-ethoxyphenyl)methyl]azanium
CID 7201411
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
CID 7228193
4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 43141959
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
(3,5-dichloro-2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228189
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
(5-chloro-2-ethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium
CID 8618266
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379
2-(5-chloro-2-ethoxyphenyl)-N-methylethanamine
CID 82550128
(1S)-1-[5-chloro-2-(2-pyridin-4-ylethoxy)phenyl]ethanol
CID 55188616
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium?
The IUPAC name of (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium (CID 7228232) is (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium.
What is the SMILES notation for (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium?
The canonical SMILES for (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium is CCOc1ccc(Cl)cc1C[NH2+]Cc1ccncc1.
What is the InChIKey of (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium?
The InChIKey is CFMYSTGMGCYQGF-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17ClN2O/c1-2-19-15-4-3-14(16)9-13(15)11-18-10-12-5-7-17-8-6-12/h3-9,18H,2,10-11H2,1H3/p+1.
What are the key properties of (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium?
(5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium has a molecular weight of 277.78 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-ethoxyphenyl)methyl-(pyridin-4-ylmethyl)azanium is sourced from PubChem (CID 7228232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).