1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine

C16H18BrNO2 — CID 104706737

IUPAC1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
SMILESCOc1ccc(OC(c2ccccc2)C(C)N)c(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-11(18)16(12-6-4-3-5-7-12)20-15-9-8-13(19-2)10-14(15)17/h3-11,16H,18H2,1-2H3
InChIKeyLOKAMDGREODZFN-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.92
Rot. Bonds5

About 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine

1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine (PubChem CID 104706737) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
PubChem CID104706737
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine
SMILESCOc1ccc(OC(c2ccccc2)C(C)N)c(Br)c1
InChIInChI=1S/C16H18BrNO2/c1-11(18)16(12-6-4-3-5-7-12)20-15-9-8-13(19-2)10-14(15)17/h3-11,16H,18H2,1-2H3
InChIKeyLOKAMDGREODZFN-UHFFFAOYSA-N
XLogP3.92
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006
(2-bromo-4-methoxyphenyl)-phenylmethanamine
CID 60785941
(1S)-1-[3-bromo-4-(2-bromo-4-methoxyphenoxy)phenyl]ethanamine
CID 104707913
[2-[2-amino-1-(4-methoxyphenyl)propoxy]phenyl]methanol
CID 63652901
5-methoxy-2-(1-phenylethoxy)aniline
CID 62058742
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
1-(2,5-dibromo-4-methoxyphenoxy)-1-thiophen-3-ylpropan-2-amine
CID 79415248
1-(2-bromo-4-methoxyphenyl)ethanamine;hydrochloride
CID 122360281
3-(2-bromo-4-methoxyphenoxy)-2-phenylpropanoic acid
CID 104708587
1-(4-butan-2-ylphenoxy)-1-phenylpropan-2-amine
CID 107663944
(1R)-1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 78937846
1-[3-bromo-4-(3-methoxyphenoxy)phenyl]ethanamine
CID 62911214

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine?
The IUPAC name of 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine (CID 104706737) is 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine is COc1ccc(OC(c2ccccc2)C(C)N)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine?
The InChIKey is LOKAMDGREODZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(18)16(12-6-4-3-5-7-12)20-15-9-8-13(19-2)10-14(15)17/h3-11,16H,18H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine?
1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine has a molecular weight of 336.23 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenoxy)-1-phenylpropan-2-amine is sourced from PubChem (CID 104706737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).