1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine

C16H18BrNO2 — CID 63803114

IUPAC1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
SMILESCOc1ccccc1Oc1cc(Br)ccc1CC(C)N
InChIInChI=1S/C16H18BrNO2/c1-11(18)9-12-7-8-13(17)10-16(12)20-15-6-4-3-5-14(15)19-2/h3-8,10-11H,9,18H2,1-2H3
InChIKeyQCAGSZYZNVMWEV-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.14
Rot. Bonds5

About 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine

1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine (PubChem CID 63803114) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
PubChem CID63803114
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC Name1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine
SMILESCOc1ccccc1Oc1cc(Br)ccc1CC(C)N
InChIInChI=1S/C16H18BrNO2/c1-11(18)9-12-7-8-13(17)10-16(12)20-15-6-4-3-5-14(15)19-2/h3-8,10-11H,9,18H2,1-2H3
InChIKeyQCAGSZYZNVMWEV-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-bromo-2-(2-methylphenoxy)phenyl]propan-2-amine
CID 63801754
N-[[4-bromo-2-(2-methoxyphenoxy)phenyl]methyl]propan-2-amine
CID 43283291
1-[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]propan-2-amine
CID 114677140
1-[2-(4-bromo-2-methylphenoxy)phenyl]propan-2-amine
CID 63801992
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
1-[2-(4-bromo-2-propan-2-ylphenoxy)phenyl]propan-2-amine
CID 115402935
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-[4-(2-methoxyphenoxy)-2-methylphenyl]propan-2-amine
CID 63803634
1-(4-bromo-2-fluorophenyl)-3-(2-methoxyphenyl)propan-2-amine
CID 62602156
1-[2-(4-bromophenoxy)-4-chlorophenyl]propan-2-amine
CID 114862844
1-[4-chloro-2-(2-ethoxyphenoxy)phenyl]propan-2-amine
CID 114862777
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine (CID 63803114) is 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine is COc1ccccc1Oc1cc(Br)ccc1CC(C)N.
What is the InChIKey of 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine?
The InChIKey is QCAGSZYZNVMWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11(18)9-12-7-8-13(17)10-16(12)20-15-6-4-3-5-14(15)19-2/h3-8,10-11H,9,18H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine?
1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine has a molecular weight of 336.23 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2-methoxyphenoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63803114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).