[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine

C16H18BrNO2 — CID 82827758

IUPAC[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COCc2ccccc2Br)cc1CN
InChIInChI=1S/C16H18BrNO2/c1-19-16-7-6-12(8-14(16)9-18)10-20-11-13-4-2-3-5-15(13)17/h2-8H,9-11,18H2,1H3
InChIKeyCJNFRZBOZSBIAE-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.63
Rot. Bonds6

About [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine

[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine (PubChem CID 82827758) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
PubChem CID82827758
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name[5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
SMILESCOc1ccc(COCc2ccccc2Br)cc1CN
InChIInChI=1S/C16H18BrNO2/c1-19-16-7-6-12(8-14(16)9-18)10-20-11-13-4-2-3-5-15(13)17/h2-8H,9-11,18H2,1H3
InChIKeyCJNFRZBOZSBIAE-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

[4-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine
CID 106786393
5-[(2-bromophenyl)methoxymethyl]-2-methoxyaniline
CID 82828566
[5-(furan-2-ylmethoxymethyl)-2-methoxyphenyl]methanamine
CID 65338776
[2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]phenyl]methanamine
CID 103401488
[2-[(2-bromophenyl)methoxy]-5-methylphenyl]methanamine
CID 63322646
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
[5-(2-cyclobutylethoxymethyl)-2-methoxyphenyl]methanamine
CID 114157330
[5-[[benzyl(methyl)amino]methyl]-2-methoxyphenyl]methanamine
CID 65340886
[2-methoxy-5-(3-pyridin-4-ylpropoxymethyl)phenyl]methanamine
CID 65338927
[5-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)-2-methoxyphenyl]methanamine
CID 102721800
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[5-(benzylsulfonylmethyl)-2-methoxyphenyl]methanamine
CID 65343819

Frequently Asked Questions

What is the IUPAC name of [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine?
The IUPAC name of [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine (CID 82827758) is [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine.
What is the SMILES notation for [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine?
The canonical SMILES for [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine is COc1ccc(COCc2ccccc2Br)cc1CN.
What is the InChIKey of [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine?
The InChIKey is CJNFRZBOZSBIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-19-16-7-6-12(8-14(16)9-18)10-20-11-13-4-2-3-5-15(13)17/h2-8H,9-11,18H2,1H3.
What are the key properties of [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine?
[5-[(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 [5-[(2-bromophenyl)methoxymethyl]-2-methoxyphenyl]methanamine is sourced from PubChem (CID 82827758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).