1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine

C16H19BrFNO — CID 63398595

IUPAC1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C16H19BrFNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-6-4-12(17)10-15(14)18/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyBHKNMQJCXORHPS-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.78
Rot. Bonds6

About 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine

1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine (PubChem CID 63398595) has the molecular formula C16H19BrFNO and a molecular weight of 340.24 g/mol. Its IUPAC name is 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
PubChem CID63398595
Molecular FormulaC16H19BrFNO
Molecular Weight340.24 g/mol
Exact Mass339.06
IUPAC Name1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2ccc(Br)cc2F)o1
InChIInChI=1S/C16H19BrFNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-6-4-12(17)10-15(14)18/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyBHKNMQJCXORHPS-UHFFFAOYSA-N
XLogP4.78
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propyl-1-[5-(2,3,5-trifluorophenyl)furan-2-yl]propan-2-amine
CID 63085650
1-[5-(3-bromophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 55188418
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 81274606
1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
1-[5-(4-bromo-2,5-difluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107615154
1-(4-bromo-2-fluorophenyl)-N-propylpropan-2-amine
CID 62601740
1-[5-(4-bromo-2-ethylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 81287175
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanamine
CID 43363465
[5-(4-bromo-2-fluorophenyl)furan-2-yl]methanol
CID 28693697
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084755
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine (CID 63398595) is 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(-c2ccc(Br)cc2F)o1.
What is the InChIKey of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The InChIKey is BHKNMQJCXORHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-6-4-12(17)10-15(14)18/h4-7,10-11,19H,3,8-9H2,1-2H3.
What are the key properties of 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine?
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine has a molecular weight of 340.24 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 63398595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).