[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium

C23H25FNO2+ — CID 8635366

IUPAC[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1F
InChIInChI=1S/C23H24FNO2/c1-17-10-12-18(13-11-17)14-25-15-19-7-5-9-22(26-2)23(19)27-16-20-6-3-4-8-21(20)24/h3-13,25H,14-16H2,1-2H3/p+1
InChIKeyRPVHVXXONLIYGZ-UHFFFAOYSA-O
MW366.46 g/mol
LogP3.99
Rot. Bonds8

About [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium

[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium (PubChem CID 8635366) has the molecular formula C23H25FNO2+ and a molecular weight of 366.46 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
PubChem CID8635366
Molecular FormulaC23H25FNO2+
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium
SMILESCOc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1F
InChIInChI=1S/C23H24FNO2/c1-17-10-12-18(13-11-17)14-25-15-19-7-5-9-22(26-2)23(19)27-16-20-6-3-4-8-21(20)24/h3-13,25H,14-16H2,1-2H3/p+1
InChIKeyRPVHVXXONLIYGZ-UHFFFAOYSA-O
XLogP3.99
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635362
1,3-benzodioxol-5-ylmethyl-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]azanium chloride
CID 44664744
[3-[(2-fluorophenyl)methoxy]phenyl]methyl-[(4-methylphenyl)methyl]azanium
CID 8635433
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 20987842
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 2987070
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(1S)-1-phenylethyl]azanium
CID 7135735
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721447
1-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17208035
(3,4-dimethoxyphenyl)methyl-[(2-fluorophenyl)methyl]azanium
CID 7452788
(4-methylphenyl)methyl-[(2-phenylmethoxyphenyl)methyl]azanium
CID 8623256
(NE)-N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 42302807
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 22680932

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium?
The IUPAC name of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium (CID 8635366) is [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium is COc1cccc(C[NH2+]Cc2ccc(C)cc2)c1OCc1ccccc1F.
What is the InChIKey of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium?
The InChIKey is RPVHVXXONLIYGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24FNO2/c1-17-10-12-18(13-11-17)14-25-15-19-7-5-9-22(26-2)23(19)27-16-20-6-3-4-8-21(20)24/h3-13,25H,14-16H2,1-2H3/p+1.
What are the key properties of [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium?
[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium has a molecular weight of 366.46 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 8635366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).