N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine

C14H18BrNO — CID 65438613

IUPACN-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc2cc(C)cc(Br)c2o1
InChIInChI=1S/C14H18BrNO/c1-4-5-16-10(3)13-8-11-6-9(2)7-12(15)14(11)17-13/h6-8,10,16H,4-5H2,1-3H3
InChIKeyBNSZGHOQYXYFRE-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.56
Rot. Bonds4

About N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 65438613) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID65438613
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1cc2cc(C)cc(Br)c2o1
InChIInChI=1S/C14H18BrNO/c1-4-5-16-10(3)13-8-11-6-9(2)7-12(15)14(11)17-13/h6-8,10,16H,4-5H2,1-3H3
InChIKeyBNSZGHOQYXYFRE-UHFFFAOYSA-N
XLogP4.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-5-methyl-1-benzofuran-2-yl)-N-ethylbutan-1-amine
CID 65438665
1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethanamine
CID 65438612
N-[1-(4,7-dibromo-5-methoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 79415488
1-(5,7-dibromo-1-benzofuran-2-yl)-N-propylpropan-1-amine
CID 65440043
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65438472
N-[1-[5-(2-bromo-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398637
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441066
1-(5,7-dibromo-1-benzofuran-2-yl)-N-methylethanamine
CID 65440371
N-[1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 107577114
N-[(7-bromo-5-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65438810
N-[1-[1-(2,6-dibromo-4-methylphenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103084921
1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
CID 105177238

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 65438613) is N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNC(C)c1cc2cc(C)cc(Br)c2o1.
What is the InChIKey of N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is BNSZGHOQYXYFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-4-5-16-10(3)13-8-11-6-9(2)7-12(15)14(11)17-13/h6-8,10,16H,4-5H2,1-3H3.
What are the key properties of N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 296.21 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-bromo-5-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 65438613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).