2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine

C16H18BrNO3 — CID 63815071

IUPAC2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
SMILESCOc1cccc(OC)c1Oc1cc(Br)ccc1CCN
InChIInChI=1S/C16H18BrNO3/c1-19-13-4-3-5-14(20-2)16(13)21-15-10-12(17)7-6-11(15)8-9-18/h3-7,10H,8-9,18H2,1-2H3
InChIKeyMEVZXNPDDVQMGP-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.76
Rot. Bonds6

About 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine

2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine (PubChem CID 63815071) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
PubChem CID63815071
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine
SMILESCOc1cccc(OC)c1Oc1cc(Br)ccc1CCN
InChIInChI=1S/C16H18BrNO3/c1-19-13-4-3-5-14(20-2)16(13)21-15-10-12(17)7-6-11(15)8-9-18/h3-7,10H,8-9,18H2,1-2H3
InChIKeyMEVZXNPDDVQMGP-UHFFFAOYSA-N
XLogP3.76
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-2-(3-chloro-2-fluorophenoxy)phenyl]ethanamine
CID 116690763
2-[4-bromo-2-(4-bromo-2-chlorophenoxy)phenyl]ethanamine
CID 63803304
2-(2-bromo-3-methoxyphenyl)ethanamine
CID 83711367
2-[4-bromo-2-(2,5-dimethylphenoxy)phenyl]ethanamine
CID 63802592
2-[4-bromo-2-(4-bromo-2-propan-2-ylphenoxy)phenyl]ethanamine
CID 115402942
2-[4-bromo-2-(2-bromo-4-fluorophenoxy)phenyl]ethanamine
CID 63816804
2-[4-bromo-2-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63817335
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-[5-bromo-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]ethanamine
CID 104794308
2-[4-bromo-2-(3-bromo-5-fluorophenoxy)phenyl]ethanamine
CID 81325869
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-(4-bromo-2-methoxyphenyl)ethanol
CID 66580015

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine (CID 63815071) is 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine is COc1cccc(OC)c1Oc1cc(Br)ccc1CCN.
What is the InChIKey of 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine?
The InChIKey is MEVZXNPDDVQMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-19-13-4-3-5-14(20-2)16(13)21-15-10-12(17)7-6-11(15)8-9-18/h3-7,10H,8-9,18H2,1-2H3.
What are the key properties of 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine?
2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine has a molecular weight of 352.23 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(2,6-dimethoxyphenoxy)phenyl]ethanamine is sourced from PubChem (CID 63815071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).