N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine

C15H18BrNO2 — CID 107622707

IUPACN-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1cc(-c2ccc(CNC(C)C)o2)ccc1Br
InChIInChI=1S/C15H18BrNO2/c1-10(2)17-9-12-5-7-14(19-12)11-4-6-13(16)15(8-11)18-3/h4-8,10,17H,9H2,1-3H3
InChIKeyMHYIMFKOKBGBLW-UHFFFAOYSA-N
MW324.22 g/mol
LogP4.22
Rot. Bonds5

About N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine

N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 107622707) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
PubChem CID107622707
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
SMILESCOc1cc(-c2ccc(CNC(C)C)o2)ccc1Br
InChIInChI=1S/C15H18BrNO2/c1-10(2)17-9-12-5-7-14(19-12)11-4-6-13(16)15(8-11)18-3/h4-8,10,17H,9H2,1-3H3
InChIKeyMHYIMFKOKBGBLW-UHFFFAOYSA-N
XLogP4.22
TPSA34.40 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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
N-[[5-(4-bromo-3-fluorophenyl)furan-2-yl]methyl]propan-2-amine
CID 65435627
1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine
CID 107622701
[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol
CID 107622909
N-[[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]methyl]propan-2-amine
CID 107577096
N-[[5-(2-fluoro-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 106887913
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]butan-2-amine;hydrochloride
CID 17056319
N-[[5-[4-(2-methylpropyl)phenyl]furan-2-yl]methyl]propan-2-amine
CID 106888608
N-[(5-quinoxalin-6-ylfuran-2-yl)methyl]propan-2-amine
CID 60961490
1-[4-[5-[(propan-2-ylamino)methyl]furan-2-yl]phenyl]ethanol;hydrochloride
CID 17156433
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207474
N-[[5-(4-bromo-3-methylphenyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 17056318

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine (CID 107622707) is N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine is COc1cc(-c2ccc(CNC(C)C)o2)ccc1Br.
What is the InChIKey of N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is MHYIMFKOKBGBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-10(2)17-9-12-5-7-14(19-12)11-4-6-13(16)15(8-11)18-3/h4-8,10,17H,9H2,1-3H3.
What are the key properties of N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 324.22 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107622707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).