[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine

C15H18BrNO2 — CID 115402732

IUPAC[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
SMILESCC(C)c1cc(Br)ccc1OCc1ccc(CN)o1
InChIInChI=1S/C15H18BrNO2/c1-10(2)14-7-11(16)3-6-15(14)18-9-13-5-4-12(8-17)19-13/h3-7,10H,8-9,17H2,1-2H3
InChIKeySCJMYPMZFHKHDX-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.20
Rot. Bonds5

About [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine

[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine (PubChem CID 115402732) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
PubChem CID115402732
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
SMILESCC(C)c1cc(Br)ccc1OCc1ccc(CN)o1
InChIInChI=1S/C15H18BrNO2/c1-10(2)14-7-11(16)3-6-15(14)18-9-13-5-4-12(8-17)19-13/h3-7,10H,8-9,17H2,1-2H3
InChIKeySCJMYPMZFHKHDX-UHFFFAOYSA-N
XLogP4.20
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine 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

[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 115402782
[5-[(2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62458746
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methyl-1,2-oxazole
CID 115401922
1-[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 115402794
[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine
CID 62454908
2-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-3-carboxylic acid
CID 115401481
(1R)-1-[5-bromo-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 55189227
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946
5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 115402628
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]pyrazin-2-yl]hydrazine
CID 103061966

Frequently Asked Questions

What is the IUPAC name of [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The IUPAC name of [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine (CID 115402732) is [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine is CC(C)c1cc(Br)ccc1OCc1ccc(CN)o1.
What is the InChIKey of [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
The InChIKey is SCJMYPMZFHKHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-10(2)14-7-11(16)3-6-15(14)18-9-13-5-4-12(8-17)19-13/h3-7,10H,8-9,17H2,1-2H3.
What are the key properties of [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine?
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine has a molecular weight of 324.22 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-bromo-2-propan-2-ylphenoxy)methyl]furan-2-yl]methanamine is sourced from PubChem (CID 115402732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).