[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium

C24H27ClNO2+ — CID 8635379

IUPAC[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClNO2/c1-3-27-24-14-21(16-26-15-19-6-4-18(2)5-7-19)10-13-23(24)28-17-20-8-11-22(25)12-9-20/h4-14,26H,3,15-17H2,1-2H3/p+1
InChIKeyMUGQQQDAMGPQOC-UHFFFAOYSA-O
MW396.94 g/mol
LogP4.89
Rot. Bonds9

About [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium

[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 8635379) has the molecular formula C24H27ClNO2+ and a molecular weight of 396.94 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
PubChem CID8635379
Molecular FormulaC24H27ClNO2+
Molecular Weight396.94 g/mol
Exact Mass396.17
IUPAC Name[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H26ClNO2/c1-3-27-24-14-21(16-26-15-19-6-4-18(2)5-7-19)10-13-23(24)28-17-20-8-11-22(25)12-9-20/h4-14,26H,3,15-17H2,1-2H3/p+1
InChIKeyMUGQQQDAMGPQOC-UHFFFAOYSA-O
XLogP4.89
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-ethoxybenzene
CID 43324667
[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl-(pyridin-4-ylmethyl)azanium
CID 7228193
(3-ethoxy-4-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8635968
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-1-(4-fluorophenyl)methanamine
CID 4718394
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
(2S)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-2-amine
CID 40726642
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]butan-1-amine
CID 4722560
1,3-benzodioxol-5-ylmethyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium
CID 7458480
3-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]propanoic acid
CID 9149869
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 4718391

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium (CID 8635379) is [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium is CCOc1cc(C[NH2+]Cc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is MUGQQQDAMGPQOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H26ClNO2/c1-3-27-24-14-21(16-26-15-19-6-4-18(2)5-7-19)10-13-23(24)28-17-20-8-11-22(25)12-9-20/h4-14,26H,3,15-17H2,1-2H3/p+1.
What are the key properties of [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium?
[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium has a molecular weight of 396.94 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 8635379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).