2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine

C16H18BrNO2 — CID 60906008

IUPAC2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-19-16-10-12(7-8-18)5-6-15(16)20-11-13-3-2-4-14(17)9-13/h2-6,9-10H,7-8,11,18H2,1H3
InChIKeyDWYWQFIFQPQKSX-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.54
Rot. Bonds6

About 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine

2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine (PubChem CID 60906008) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
PubChem CID60906008
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine
SMILESCOc1cc(CCN)ccc1OCc1cccc(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-19-16-10-12(7-8-18)5-6-15(16)20-11-13-3-2-4-14(17)9-13/h2-6,9-10H,7-8,11,18H2,1H3
InChIKeyDWYWQFIFQPQKSX-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]ethanamine
CID 20987766
4-(bromomethyl)-1-[(3-bromophenyl)methoxy]-2-methoxybenzene
CID 43324722
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
2-[4-[(5-bromo-3-pyridinyl)methoxy]-3-methoxyphenyl]ethanamine
CID 104807611
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 170867828
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
[4-[(3-bromophenyl)methoxy]-3,5-dimethoxyphenyl]methanamine
CID 60889253
2-[2-[(3-bromophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63325848
2-(3,4-dimethoxyphenyl)ethanamine;hydroiodide
CID 46741035
[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]methanamine
CID 60879812
[2-[(3-bromophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 60880402
3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170867827

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The IUPAC name of 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine (CID 60906008) is 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine.
What is the SMILES notation for 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The canonical SMILES for 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine is COc1cc(CCN)ccc1OCc1cccc(Br)c1.
What is the InChIKey of 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine?
The InChIKey is DWYWQFIFQPQKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-19-16-10-12(7-8-18)5-6-15(16)20-11-13-3-2-4-14(17)9-13/h2-6,9-10H,7-8,11,18H2,1H3.
What are the key properties of 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine?
2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine has a molecular weight of 336.23 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]ethanamine is sourced from PubChem (CID 60906008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).