(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium

C22H24NO+ — CID 8635403

IUPAC(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO/c1-18-10-12-19(13-11-18)15-23-16-21-8-5-9-22(14-21)24-17-20-6-3-2-4-7-20/h2-14,23H,15-17H2,1H3/p+1
InChIKeyCRYDAGSLOTYFCM-UHFFFAOYSA-O
MW318.44 g/mol
LogP3.84
Rot. Bonds7

About (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium

(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium (PubChem CID 8635403) has the molecular formula C22H24NO+ and a molecular weight of 318.44 g/mol. Its IUPAC name is (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
PubChem CID8635403
Molecular FormulaC22H24NO+
Molecular Weight318.44 g/mol
Exact Mass318.19
IUPAC Name(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO/c1-18-10-12-19(13-11-18)15-23-16-21-8-5-9-22(14-21)24-17-20-6-3-2-4-7-20/h2-14,23H,15-17H2,1H3/p+1
InChIKeyCRYDAGSLOTYFCM-UHFFFAOYSA-O
XLogP3.84
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)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

[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635433
2-methoxyethyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7324179
(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
CID 8623256
ethane;1-methyl-4-(3-phenylmethoxyphenoxy)benzene
CID 142197636
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
1-chloro-3-[(4-methylphenyl)methoxy]benzene
CID 60627875
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
2-(4-methylphenyl)-1-(3-phenylmethoxyphenyl)ethanone
CID 10543442
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
benzyl-[2-(3-methylphenoxy)ethyl]azanium
CID 2181236
2-[(4-methylphenyl)methoxy]-4-phenylmethoxypyridine
CID 67304946

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The IUPAC name of (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium (CID 8635403) is (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium.
What is the SMILES notation for (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The canonical SMILES for (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium is Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3)c2)cc1.
What is the InChIKey of (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium?
The InChIKey is CRYDAGSLOTYFCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23NO/c1-18-10-12-19(13-11-18)15-23-16-21-8-5-9-22(14-21)24-17-20-6-3-2-4-7-20/h2-14,23H,15-17H2,1H3/p+1.
What are the key properties of (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium?
(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium has a molecular weight of 318.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium is sourced from PubChem (CID 8635403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).