(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium

C18H24NO3+ — CID 8636164

IUPAC(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C18H23NO3/c1-4-22-18-11-15(7-10-17(18)21-3)13-19-12-14-5-8-16(20-2)9-6-14/h5-11,19H,4,12-13H2,1-3H3/p+1
InChIKeyLLATXWJZBZRQOB-UHFFFAOYSA-O
MW302.39 g/mol
LogP2.37
Rot. Bonds8

About (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium

(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium (PubChem CID 8636164) has the molecular formula C18H24NO3+ and a molecular weight of 302.39 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
PubChem CID8636164
Molecular FormulaC18H24NO3+
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C18H23NO3/c1-4-22-18-11-15(7-10-17(18)21-3)13-19-12-14-5-8-16(20-2)9-6-14/h5-11,19H,4,12-13H2,1-3H3/p+1
InChIKeyLLATXWJZBZRQOB-UHFFFAOYSA-O
XLogP2.37
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 7380519
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
4-[[(3-ethoxy-4-methoxyphenyl)methylazaniumyl]methyl]benzoate
CID 7311658
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
CID 7379837
(4-ethoxy-3-methoxyphenyl)methyl-[(3R)-3-(4-methoxyphenyl)-6-methylheptyl]azanium
CID 7714670
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine
CID 111781846
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
(4-methoxyphenyl)methyl-propylazanium
CID 7959873
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium (CID 8636164) is (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium is CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OC.
What is the InChIKey of (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is LLATXWJZBZRQOB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H23NO3/c1-4-22-18-11-15(7-10-17(18)21-3)13-19-12-14-5-8-16(20-2)9-6-14/h5-11,19H,4,12-13H2,1-3H3/p+1.
What are the key properties of (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 302.39 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 8636164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).