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

C15H17BrNO+ — CID 3504597

IUPAC(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO/c1-18-15-8-4-13(5-9-15)11-17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3/p+1
InChIKeyZXLVQDYGDDWXQR-UHFFFAOYSA-O
MW307.21 g/mol
LogP2.72
Rot. Bonds5

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

(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium (PubChem CID 3504597) has the molecular formula C15H17BrNO+ and a molecular weight of 307.21 g/mol. Its IUPAC name is (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
PubChem CID3504597
Molecular FormulaC15H17BrNO+
Molecular Weight307.21 g/mol
Exact Mass306.05
IUPAC Name(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
SMILESCOc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C15H16BrNO/c1-18-15-8-4-13(5-9-15)11-17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3/p+1
InChIKeyZXLVQDYGDDWXQR-UHFFFAOYSA-O
XLogP2.72
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromophenyl)methyl-[(2,4-dimethoxyphenyl)methyl]azanium
CID 3648787
(2-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504596
(4-methoxyphenyl)methyl-propylazanium
CID 7959873
[4-[[(4-methoxyphenyl)methylazaniumyl]methyl]phenyl]methyl-dimethylazanium
CID 8898263
(4-methoxyphenyl)methyl-[(4-phenylphenyl)methyl]azanium
CID 8636190
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 8636099
1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
lithium;1-bromo-4-methoxybenzene;butane
CID 174553032
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
(4-bromophenyl)methyl-(3-ethoxypropyl)azanium
CID 7951677
1-bromo-4-[2-bromo-4-(4-methoxyphenyl)butyl]benzene
CID 63542238
(2R)-4-(4-bromophenyl)-2-[(4-methoxyphenyl)methylazaniumyl]-4-oxobutanoate
CID 7021289

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The IUPAC name of (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium (CID 3504597) is (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium.
What is the SMILES notation for (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The canonical SMILES for (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium is COc1ccc(C[NH2+]Cc2ccc(Br)cc2)cc1.
What is the InChIKey of (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
The InChIKey is ZXLVQDYGDDWXQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16BrNO/c1-18-15-8-4-13(5-9-15)11-17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3/p+1.
What are the key properties of (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium?
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium has a molecular weight of 307.21 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium is sourced from PubChem (CID 3504597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).