N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine

C15H20BrNO — CID 63398521

IUPACN-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(C)cc(Br)cc2c1C
InChIInChI=1S/C15H20BrNO/c1-5-6-17-11(4)15-10(3)13-8-12(16)7-9(2)14(13)18-15/h7-8,11,17H,5-6H2,1-4H3
InChIKeyLZUVAJPFRHWVBN-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.87
Rot. Bonds4

About N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine

N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine (PubChem CID 63398521) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
PubChem CID63398521
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC NameN-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1oc2c(C)cc(Br)cc2c1C
InChIInChI=1S/C15H20BrNO/c1-5-6-17-11(4)15-10(3)13-8-12(16)7-9(2)14(13)18-15/h7-8,11,17H,5-6H2,1-4H3
InChIKeyLZUVAJPFRHWVBN-UHFFFAOYSA-N
XLogP4.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 61281522
N-[1-(5-bromo-3,4,6-trimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 107725506
N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 55185952
1-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61281325
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N-[1-(5-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398602
N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 61281326
N-[(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049450
N-[1-[5-(4-bromo-2-methylphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65181758
N-[(5-bromo-7-methyl-1-benzofuran-2-yl)-cyclopropylmethyl]propan-1-amine
CID 65438724
N-[1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 107577114

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine (CID 63398521) is N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine is CCCNC(C)c1oc2c(C)cc(Br)cc2c1C.
What is the InChIKey of N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
The InChIKey is LZUVAJPFRHWVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-5-6-17-11(4)15-10(3)13-8-12(16)7-9(2)14(13)18-15/h7-8,11,17H,5-6H2,1-4H3.
What are the key properties of N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine?
N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine has a molecular weight of 310.24 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 63398521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).