1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine

C18H28BrNO — CID 105031744

IUPAC1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1cc(Br)cc2c1OCC2)NC
InChIInChI=1S/C18H28BrNO/c1-3-4-5-6-7-8-17(20-2)13-15-12-16(19)11-14-9-10-21-18(14)15/h11-12,17,20H,3-10,13H2,1-2H3
InChIKeyOPBPYTNZQVXWQK-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.88
Rot. Bonds9

About 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine

1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine (PubChem CID 105031744) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine
PubChem CID105031744
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine
SMILESCCCCCCCC(Cc1cc(Br)cc2c1OCC2)NC
InChIInChI=1S/C18H28BrNO/c1-3-4-5-6-7-8-17(20-2)13-15-12-16(19)11-14-9-10-21-18(14)15/h11-12,17,20H,3-10,13H2,1-2H3
InChIKeyOPBPYTNZQVXWQK-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 105178541
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CID 105178479
5-bromo-7-(1-chlorooctyl)-2,3-dihydro-1-benzofuran
CID 104543327
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 104541692
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-propan-2-yloxy-N-propylpropan-2-amine
CID 105178562
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethylpent-4-en-2-amine
CID 116660829
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)octan-2-amine
CID 105031486
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105332536
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105178495
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-ethylpentane-2,3-diol
CID 103449362
ethyl 3-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxypropanoate
CID 113403461
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 105031757

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine?
The IUPAC name of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine (CID 105031744) is 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine.
What is the SMILES notation for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine?
The canonical SMILES for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine is CCCCCCCC(Cc1cc(Br)cc2c1OCC2)NC.
What is the InChIKey of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine?
The InChIKey is OPBPYTNZQVXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-3-4-5-6-7-8-17(20-2)13-15-12-16(19)11-14-9-10-21-18(14)15/h11-12,17,20H,3-10,13H2,1-2H3.
What are the key properties of 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine?
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine has a molecular weight of 354.33 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methylnonan-2-amine is sourced from PubChem (CID 105031744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).