(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium

C21H22NO+ — CID 8636190

IUPAC(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H21NO/c1-23-21-13-9-18(10-14-21)16-22-15-17-7-11-20(12-8-17)19-5-3-2-4-6-19/h2-14,22H,15-16H2,1H3/p+1
InChIKeyPNKYWMJQFOCVPA-UHFFFAOYSA-O
MW304.41 g/mol
LogP3.63
Rot. Bonds6

About (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium

(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium (PubChem CID 8636190) has the molecular formula C21H22NO+ and a molecular weight of 304.41 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
PubChem CID8636190
Molecular FormulaC21H22NO+
Molecular Weight304.41 g/mol
Exact Mass304.17
IUPAC Name(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H21NO/c1-23-21-13-9-18(10-14-21)16-22-15-17-7-11-20(12-8-17)19-5-3-2-4-6-19/h2-14,22H,15-16H2,1H3/p+1
InChIKeyPNKYWMJQFOCVPA-UHFFFAOYSA-O
XLogP3.63
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(4-phenylphenyl)methanamine
CID 134791729
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 8636099
(4-methoxyphenyl)methyl-propylazanium
CID 7959873
[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium
CID 8898263
benzyl-[[4-[3,5-bis[4-[(benzylazaniumyl)methyl]phenyl]phenyl]phenyl]methyl]azanium
CID 101337215
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium?
The IUPAC name of (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium (CID 8636190) is (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium.
What is the SMILES notation for (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium?
The canonical SMILES for (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium is COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium?
The InChIKey is PNKYWMJQFOCVPA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H21NO/c1-23-21-13-9-18(10-14-21)16-22-15-17-7-11-20(12-8-17)19-5-3-2-4-6-19/h2-14,22H,15-16H2,1H3/p+1.
What are the key properties of (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium?
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium has a molecular weight of 304.41 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium is sourced from PubChem (CID 8636190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).