(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium

C24H28NO3+ — CID 8637363

IUPAC(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1OCc1ccccc1
InChIInChI=1S/C24H27NO3/c1-3-27-23-11-7-10-21(24(23)28-18-20-8-5-4-6-9-20)17-25-16-19-12-14-22(26-2)15-13-19/h4-15,25H,3,16-18H2,1-2H3/p+1
InChIKeyXRYWSQATVLROBP-UHFFFAOYSA-O
MW378.49 g/mol
LogP3.94
Rot. Bonds10

About (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium

(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium (PubChem CID 8637363) has the molecular formula C24H28NO3+ and a molecular weight of 378.49 g/mol. Its IUPAC name is (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
PubChem CID8637363
Molecular FormulaC24H28NO3+
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1OCc1ccccc1
InChIInChI=1S/C24H27NO3/c1-3-27-23-11-7-10-21(24(23)28-18-20-8-5-4-6-9-20)17-25-16-19-12-14-22(26-2)15-13-19/h4-15,25H,3,16-18H2,1-2H3/p+1
InChIKeyXRYWSQATVLROBP-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-2-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4086182
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanol
CID 43366742
[3-ethoxy-2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60880025
(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
CID 8623256
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8637284
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17290759
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635366
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
1-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117479099

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium (CID 8637363) is (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium is CCOc1cccc(C[NH2+]Cc2ccc(OC)cc2)c1OCc1ccccc1.
What is the InChIKey of (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is XRYWSQATVLROBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H27NO3/c1-3-27-23-11-7-10-21(24(23)28-18-20-8-5-4-6-9-20)17-25-16-19-12-14-22(26-2)15-13-19/h4-15,25H,3,16-18H2,1-2H3/p+1.
What are the key properties of (3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
(3-ethoxy-2-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-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 8637363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).