[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine

C16H18BrNO2 — CID 106786393

IUPAC[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(COCc2ccccc2Br)ccc1CN
InChIInChI=1S/C16H18BrNO2/c1-19-16-8-12(6-7-13(16)9-18)10-20-11-14-4-2-3-5-15(14)17/h2-8H,9-11,18H2,1H3
InChIKeyQRYKMGUADOWJJD-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.63
Rot. Bonds6

About [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine

[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine (PubChem CID 106786393) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
PubChem CID106786393
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
SMILESCOc1cc(COCc2ccccc2Br)ccc1CN
InChIInChI=1S/C16H18BrNO2/c1-19-16-8-12(6-7-13(16)9-18)10-20-11-14-4-2-3-5-15(14)17/h2-8H,9-11,18H2,1H3
InChIKeyQRYKMGUADOWJJD-UHFFFAOYSA-N
XLogP3.63
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 82827758
5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline
CID 82828566
[2-methoxy-4-(2-methylpropoxymethyl)phenyl]methanamine
CID 106786198
[2-methoxy-4-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 106786180
[2-methoxy-4-(1-phenylethoxymethyl)phenyl]methanamine
CID 106786215
[2-methoxy-4-[(2-methylsulfanylphenoxy)methyl]phenyl]methanamine
CID 106786332
2-[[4-(aminomethyl)-3-methoxyphenyl]methoxy]benzamide
CID 106786214
[4-[(3,4-dimethylphenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786175
[4-(1,3-dihydroisoindol-2-ylmethyl)-2-methoxyphenyl]methanamine
CID 106785461
[4-[(3,5-dichlorophenoxy)methyl]-2-methoxyphenyl]methanamine
CID 106786294
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine (CID 106786393) is [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine is COc1cc(COCc2ccccc2Br)ccc1CN.
What is the InChIKey of [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine?
The InChIKey is QRYKMGUADOWJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-19-16-8-12(6-7-13(16)9-18)10-20-11-14-4-2-3-5-15(14)17/h2-8H,9-11,18H2,1H3.
What are the key properties of [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine?
[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine has a molecular weight of 336.23 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 106786393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).