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

C24H28NO3+ — CID 8635968

IUPAC(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H27NO3/c1-3-27-24-15-21(17-25-16-19-9-12-22(26-2)13-10-19)11-14-23(24)28-18-20-7-5-4-6-8-20/h4-15,25H,3,16-18H2,1-2H3/p+1
InChIKeyWESADXHODUGSOQ-UHFFFAOYSA-O
MW378.49 g/mol
LogP3.94
Rot. Bonds10

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

(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium (PubChem CID 8635968) has the molecular formula C24H28NO3+ and a molecular weight of 378.49 g/mol. Its IUPAC name is (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
PubChem CID8635968
Molecular FormulaC24H28NO3+
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C24H27NO3/c1-3-27-24-15-21(17-25-16-19-9-12-22(26-2)13-10-19)11-14-23(24)28-18-20-7-5-4-6-8-20/h4-15,25H,3,16-18H2,1-2H3/p+1
InChIKeyWESADXHODUGSOQ-UHFFFAOYSA-O
XLogP3.94
TPSA44.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethoxy-4-methoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8636164
[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl-[(4-methoxyphenyl)methyl]azanium
CID 7379837
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 7380519
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8637363
1,3-benzodioxol-5-ylmethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium
CID 7458480
benzyl-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]azanium
CID 7951691
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine;hydrochloride
CID 17292781
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635379
benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17055041
1,2-bis[(4-methoxyphenyl)methoxy]-4-prop-2-enylbenzene
CID 54397178

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium (CID 8635968) is (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium is CCOc1cc(C[NH2+]Cc2ccc(OC)cc2)ccc1OCc1ccccc1.
What is the InChIKey of (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is WESADXHODUGSOQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27NO3/c1-3-27-24-15-21(17-25-16-19-9-12-22(26-2)13-10-19)11-14-23(24)28-18-20-7-5-4-6-8-20/h4-15,25H,3,16-18H2,1-2H3/p+1.
What are the key properties of (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 378.49 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 8635968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).