5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine

C17H28BrNO — CID 104662891

IUPAC5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCOc1ccc(CCCCCNCC(C)C)cc1Br
InChIInChI=1S/C17H28BrNO/c1-4-20-17-10-9-15(12-16(17)18)8-6-5-7-11-19-13-14(2)3/h9-10,12,14,19H,4-8,11,13H2,1-3H3
InChIKeyQCSQGGYBRIZBLW-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.81
Rot. Bonds10

About 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine

5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 104662891) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID104662891
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
SMILESCCOc1ccc(CCCCCNCC(C)C)cc1Br
InChIInChI=1S/C17H28BrNO/c1-4-20-17-10-9-15(12-16(17)18)8-6-5-7-11-19-13-14(2)3/h9-10,12,14,19H,4-8,11,13H2,1-3H3
InChIKeyQCSQGGYBRIZBLW-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.81
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

5-(3-bromo-4-propoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 104662947
5-(3-bromo-4-ethoxyphenyl)-N-propylpentan-1-amine
CID 104662920
5-(5-bromo-2-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305802
6-(4-ethoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308994
5-(3-bromo-4-ethoxyphenyl)pentan-1-amine
CID 104662909
2-bromo-1-ethoxy-4-pentylbenzene
CID 171368096
N-[5-(3-bromo-4-ethoxyphenyl)pentyl]cyclopropanamine
CID 104662908
6-(2-ethoxy-5-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306555
5-[3-bromo-4-(2-methoxyethoxy)phenyl]-N-ethylpentan-1-amine
CID 104663012
5-(3-fluoro-4-methoxyphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65305492
1-[2-[(3-bromo-4-ethoxyphenyl)methylamino]ethylamino]propan-2-ol
CID 17159735
5-(4-butylphenyl)-N-(2-methylpropyl)pentan-1-amine
CID 65300670

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine (CID 104662891) is 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine is CCOc1ccc(CCCCCNCC(C)C)cc1Br.
What is the InChIKey of 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is QCSQGGYBRIZBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-4-20-17-10-9-15(12-16(17)18)8-6-5-7-11-19-13-14(2)3/h9-10,12,14,19H,4-8,11,13H2,1-3H3.
What are the key properties of 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine?
5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-ethoxyphenyl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 104662891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).