5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

C16H24BrNO2 — CID 79607658

IUPAC5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-13(5-4-8-18-9-10-19-2)11-14-6-7-16(20-3)15(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3
InChIKeyOGPNUHXSZVCEJJ-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.57
Rot. Bonds9

About 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (PubChem CID 79607658) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
PubChem CID79607658
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-13(5-4-8-18-9-10-19-2)11-14-6-7-16(20-3)15(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3
InChIKeyOGPNUHXSZVCEJJ-UHFFFAOYSA-N
XLogP3.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 79607656
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 79599332
5-(3-fluoro-4-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598736
N-(2-methoxyethyl)-4-methyl-5-pyridin-4-ylpent-3-en-1-amine
CID 79606913
4-[5-(2-methoxyethylamino)-2-methylpent-2-enyl]pyridin-2-amine
CID 79607063
N-ethyl-5-(3-fluoro-4-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79599741
(Z)-4-(5-fluoro-2-methoxyphenyl)-N-(2-methoxyethyl)pent-3-en-1-amine
CID 82782510
5-(2-methoxy-5-methylphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598208
N-[[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062511
N-[[1-[(3-bromo-4-methoxyphenyl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720587
N-[2-[2-(3-bromo-4-methoxyphenyl)ethoxy]ethyl]propan-1-amine
CID 65303163
5-(2-methoxyphenyl)-4-methyl-N-propylpent-3-en-1-amine
CID 79598739

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (CID 79607658) is 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is COCCNCCC=C(C)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The InChIKey is OGPNUHXSZVCEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-13(5-4-8-18-9-10-19-2)11-14-6-7-16(20-3)15(17)12-14/h5-7,12,18H,4,8-11H2,1-3H3.
What are the key properties of 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine has a molecular weight of 342.28 g/mol, XLogP of 3.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79607658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).