[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine

C15H16BrNO2 — CID 60880402

IUPAC[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCc2cccc(Br)c2)c(CN)c1
InChIInChI=1S/C15H16BrNO2/c1-18-14-5-6-15(12(8-14)9-17)19-10-11-3-2-4-13(16)7-11/h2-8H,9-10,17H2,1H3
InChIKeyFFUSKCLGPKQAQA-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.50
Rot. Bonds5

About [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine

[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine (PubChem CID 60880402) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
PubChem CID60880402
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
SMILESCOc1ccc(OCc2cccc(Br)c2)c(CN)c1
InChIInChI=1S/C15H16BrNO2/c1-18-14-5-6-15(12(8-14)9-17)19-10-11-3-2-4-13(16)7-11/h2-8H,9-10,17H2,1H3
InChIKeyFFUSKCLGPKQAQA-UHFFFAOYSA-N
XLogP3.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 19627406
4-bromo-2-(bromomethyl)-1-[(3-methoxyphenyl)methoxy]benzene
CID 43141621
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarbothioamide
CID 82826744
[5-methoxy-2-(pyrimidin-2-ylmethoxy)phenyl]methanamine
CID 62697998
[3-bromo-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 63046855
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 60906008
[2-[(3-bromophenyl)methoxy]-4-chlorophenyl]methanamine
CID 82827870

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine?
The IUPAC name of [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine (CID 60880402) is [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine.
What is the SMILES notation for [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine?
The canonical SMILES for [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine is COc1ccc(OCc2cccc(Br)c2)c(CN)c1.
What is the InChIKey of [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine?
The InChIKey is FFUSKCLGPKQAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-18-14-5-6-15(12(8-14)9-17)19-10-11-3-2-4-13(16)7-11/h2-8H,9-10,17H2,1H3.
What are the key properties of [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine?
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine has a molecular weight of 322.20 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine is sourced from PubChem (CID 60880402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).