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

C16H19BrClNO — CID 81274606

IUPAC1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2cc(Cl)ccc2Br)o1
InChIInChI=1S/C16H19BrClNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-10-12(18)4-6-15(14)17/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyFPEQOEQAYRXOQM-UHFFFAOYSA-N
MW356.69 g/mol
LogP5.29
Rot. Bonds6

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

1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine (PubChem CID 81274606) has the molecular formula C16H19BrClNO and a molecular weight of 356.69 g/mol. Its IUPAC name is 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
PubChem CID81274606
Molecular FormulaC16H19BrClNO
Molecular Weight356.69 g/mol
Exact Mass355.03
IUPAC Name1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
SMILESCCCNC(C)Cc1ccc(-c2cc(Cl)ccc2Br)o1
InChIInChI=1S/C16H19BrClNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-10-12(18)4-6-15(14)17/h4-7,10-11,19H,3,8-9H2,1-2H3
InChIKeyFPEQOEQAYRXOQM-UHFFFAOYSA-N
XLogP5.29
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.69
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(2,4-dichlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398553
1-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 107615184
1-[5-(4-bromo-2-fluorophenyl)furan-2-yl]-N-propylpropan-2-amine
CID 63398595
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 63084110
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-2-amine
CID 107626829
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-(5-chloro-2-methylphenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63085274
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
N-ethyl-1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-amine
CID 63398766
N-propyl-1-[5-(4-propylphenyl)furan-2-yl]propan-2-amine
CID 63398712
1-[5-(5-methyl-3-pyridinyl)furan-2-yl]-N-propylpropan-2-amine
CID 107586256

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The IUPAC name of 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine (CID 81274606) is 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine.
What is the SMILES notation for 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The canonical SMILES for 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine is CCCNC(C)Cc1ccc(-c2cc(Cl)ccc2Br)o1.
What is the InChIKey of 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
The InChIKey is FPEQOEQAYRXOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrClNO/c1-3-8-19-11(2)9-13-5-7-16(20-13)14-10-12(18)4-6-15(14)17/h4-7,10-11,19H,3,8-9H2,1-2H3.
What are the key properties of 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine?
1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine has a molecular weight of 356.69 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-bromo-5-chlorophenyl)furan-2-yl]-N-propylpropan-2-amine is sourced from PubChem (CID 81274606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).