1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine

C14H16BrNO2 — CID 107622701

IUPAC1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine
SMILESCOc1cc(-c2ccc(CC(C)N)o2)ccc1Br
InChIInChI=1S/C14H16BrNO2/c1-9(16)7-11-4-6-13(18-11)10-3-5-12(15)14(8-10)17-2/h3-6,8-9H,7,16H2,1-2H3
InChIKeySWGLJNKKHUKFJB-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.61
Rot. Bonds4

About 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine

1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine (PubChem CID 107622701) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine
PubChem CID107622701
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine
SMILESCOc1cc(-c2ccc(CC(C)N)o2)ccc1Br
InChIInChI=1S/C14H16BrNO2/c1-9(16)7-11-4-6-13(18-11)10-3-5-12(15)14(8-10)17-2/h3-6,8-9H,7,16H2,1-2H3
InChIKeySWGLJNKKHUKFJB-UHFFFAOYSA-N
XLogP3.61
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methanol
CID 107622909
N-[[5-(4-bromo-3-methoxyphenyl)furan-2-yl]methyl]propan-2-amine
CID 107622707
1-[5-(2-bromophenyl)furan-2-yl]propan-2-amine
CID 63084768
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
CID 170889123
1-[5-(3,5-dinitrophenyl)furan-2-yl]propan-2-amine
CID 63084607
(2S)-1-(4-bromo-2,5-dimethoxyphenyl)propan-2-amine;hydrobromide
CID 102602641
1-[5-(2-chloro-4-fluorophenyl)furan-2-yl]propan-2-amine
CID 63085980
N-[[5-(4-methoxy-3-methylphenyl)furan-2-yl]methyl]propan-2-amine
CID 106888703
1-[5-(2,3-dichlorophenyl)furan-2-yl]propan-2-amine
CID 55180544
1-[2-(3-bromo-4-methoxyphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888189
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
1-[3-(3-bromo-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 106950862

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine?
The IUPAC name of 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine (CID 107622701) is 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine is COc1cc(-c2ccc(CC(C)N)o2)ccc1Br.
What is the InChIKey of 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine?
The InChIKey is SWGLJNKKHUKFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-9(16)7-11-4-6-13(18-11)10-3-5-12(15)14(8-10)17-2/h3-6,8-9H,7,16H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine?
1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine has a molecular weight of 310.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-3-methoxyphenyl)furan-2-yl]propan-2-amine is sourced from PubChem (CID 107622701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).