1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine

C16H20BrNO2 — CID 107722833

IUPAC1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCc1ccc(C(Oc2cc(C)c(Br)c(C)c2)C(C)N)o1
InChIInChI=1S/C16H20BrNO2/c1-9-7-13(8-10(2)15(9)17)20-16(12(4)18)14-6-5-11(3)19-14/h5-8,12,16H,18H2,1-4H3
InChIKeyWNFQOAVNJZQSBG-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.43
Rot. Bonds4

About 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine

1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine (PubChem CID 107722833) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
PubChem CID107722833
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC Name1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
SMILESCc1ccc(C(Oc2cc(C)c(Br)c(C)c2)C(C)N)o1
InChIInChI=1S/C16H20BrNO2/c1-9-7-13(8-10(2)15(9)17)20-16(12(4)18)14-6-5-11(3)19-14/h5-8,12,16H,18H2,1-4H3
InChIKeyWNFQOAVNJZQSBG-UHFFFAOYSA-N
XLogP4.43
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)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-2,5-dichlorophenoxy)-1-(5-methylfuran-2-yl)propan-2-amine
CID 107656076
2-[4-[2-amino-1-(5-methylfuran-2-yl)propoxy]phenyl]ethanol
CID 107708617
1-(4-bromo-3,5-dimethylphenoxy)-1-(4-bromothiophen-2-yl)propan-2-amine
CID 107722699
1-(4-bromo-3,5-dimethylphenoxy)-1-pyridin-2-ylpropan-2-amine
CID 107722871
1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 83233186
1-(4-bromo-3-methylphenoxy)-1-phenylpropan-2-amine
CID 83133006
1-(3-bromophenyl)-1-(4-chloro-3,5-dimethylphenoxy)propan-2-amine
CID 63459943
(4-methoxy-2-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 43464444
1-[4-(4-bromo-3,5-dimethylphenoxy)phenyl]propan-2-amine
CID 107726916
2-(4-bromo-3,5-dimethylphenoxy)-2-(2-bromophenyl)ethanamine
CID 107722774
1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63460664
1-[2-(3-methoxypropoxy)ethoxy]-1-(5-methylfuran-2-yl)propan-2-amine
CID 103176978

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine?
The IUPAC name of 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine (CID 107722833) is 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine is Cc1ccc(C(Oc2cc(C)c(Br)c(C)c2)C(C)N)o1.
What is the InChIKey of 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine?
The InChIKey is WNFQOAVNJZQSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-9-7-13(8-10(2)15(9)17)20-16(12(4)18)14-6-5-11(3)19-14/h5-8,12,16H,18H2,1-4H3.
What are the key properties of 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine?
1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine has a molecular weight of 338.25 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-dimethylphenoxy)-1-(5-methylfuran-2-yl)propan-2-amine is sourced from PubChem (CID 107722833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).