1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine

C17H22BrNO — CID 105182757

IUPAC1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H22BrNO/c1-4-10-19-15(9-8-12(2)3)16-11-13-6-5-7-14(18)17(13)20-16/h5-7,11,15,19H,2,4,8-10H2,1,3H3
InChIKeyWLZOYAQRLWOMRU-UHFFFAOYSA-N
MW336.27 g/mol
LogP5.59
Rot. Bonds7

About 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine

1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine (PubChem CID 105182757) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
PubChem CID105182757
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
SMILESC=C(C)CCC(NCCC)c1cc2cccc(Br)c2o1
InChIInChI=1S/C17H22BrNO/c1-4-10-19-15(9-8-12(2)3)16-11-13-6-5-7-14(18)17(13)20-16/h5-7,11,15,19H,2,4,8-10H2,1,3H3
InChIKeyWLZOYAQRLWOMRU-UHFFFAOYSA-N
XLogP5.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.27
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-5-methyl-N-propylhexan-1-amine
CID 105177238
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-N-ethylpent-4-yn-1-amine
CID 105149223
1-(4-bromo-2-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039445
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-4-methoxybutan-1-amine
CID 105190303
N-[(7-bromo-1-benzofuran-2-yl)-cyclopentylmethyl]propan-1-amine
CID 105081278
1-(4-bromo-2-fluorophenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 114906796
1-(7-fluoro-1-benzofuran-2-yl)-4-methyl-N-propylpentan-1-amine
CID 114728135
1-(3-bromothiophen-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039383
N-[(7-bromo-1-benzofuran-2-yl)-(5-chlorothiophen-2-yl)methyl]propan-1-amine
CID 105173567
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(7-bromo-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65438864

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine (CID 105182757) is 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine is C=C(C)CCC(NCCC)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
The InChIKey is WLZOYAQRLWOMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-4-10-19-15(9-8-12(2)3)16-11-13-6-5-7-14(18)17(13)20-16/h5-7,11,15,19H,2,4,8-10H2,1,3H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine?
1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine has a molecular weight of 336.27 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine is sourced from PubChem (CID 105182757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).