(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium

C22H24NO+ — CID 8623256

IUPAC(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H23NO/c1-18-11-13-19(14-12-18)15-23-16-21-9-5-6-10-22(21)24-17-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3/p+1
InChIKeyKIIAZOHGKLUAHH-UHFFFAOYSA-O
MW318.44 g/mol
LogP3.84
Rot. Bonds7

About (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium

(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium (PubChem CID 8623256) has the molecular formula C22H24NO+ and a molecular weight of 318.44 g/mol. Its IUPAC name is (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
PubChem CID8623256
Molecular FormulaC22H24NO+
Molecular Weight318.44 g/mol
Exact Mass318.19
IUPAC Name(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
SMILESCc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C22H23NO/c1-18-11-13-19(14-12-18)15-23-16-21-9-5-6-10-22(21)24-17-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3/p+1
InChIKeyKIIAZOHGKLUAHH-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

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Related Compounds

[2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635362
2-[2-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 80741371
(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
[2-[(4-methylphenyl)methoxy]phenyl]methanol
CID 887273
4-[[[2-[(4-fluorophenyl)methoxy]phenyl]methylazaniumyl]methyl]benzoate
CID 27137650
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 8637363
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635366
2-methyl-N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17054224
1-methyl-4-(2-phenylmethoxyphenoxy)benzene
CID 12993342
1-[2-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60908081
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 17054239
1-iodo-2-[(4-methylphenyl)methoxy]benzene
CID 63530114

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium?
The IUPAC name of (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium (CID 8623256) is (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium.
What is the SMILES notation for (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium?
The canonical SMILES for (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium is Cc1ccc(C[NH2+]Cc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium?
The InChIKey is KIIAZOHGKLUAHH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H23NO/c1-18-11-13-19(14-12-18)15-23-16-21-9-5-6-10-22(21)24-17-20-7-3-2-4-8-20/h2-14,23H,15-17H2,1H3/p+1.
What are the key properties of (4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium?
(4-methylphenyl)methyl-[(2-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-[(2-phenylmethoxyphenyl)methyl]azanium is sourced from PubChem (CID 8623256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).