6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine

C26H37Br2N — CID 54029025

IUPAC6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine
SMILESCCCCCCNCCCC(CCc1cccc(Br)c1)CCc1cccc(Br)c1
InChIInChI=1S/C26H37Br2N/c1-2-3-4-5-18-29-19-8-11-22(14-16-23-9-6-12-25(27)20-23)15-17-24-10-7-13-26(28)21-24/h6-7,9-10,12-13,20-22,29H,2-5,8,11,14-19H2,1H3
InChIKeyLEGLUOQYZDKQNP-UHFFFAOYSA-N
MW523.40 g/mol
LogP8.34
Rot. Bonds15

About 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine

6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine (PubChem CID 54029025) has the molecular formula C26H37Br2N and a molecular weight of 523.40 g/mol. Its IUPAC name is 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine
PubChem CID54029025
Molecular FormulaC26H37Br2N
Molecular Weight523.40 g/mol
Exact Mass521.13
IUPAC Name6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine
SMILESCCCCCCNCCCC(CCc1cccc(Br)c1)CCc1cccc(Br)c1
InChIInChI=1S/C26H37Br2N/c1-2-3-4-5-18-29-19-8-11-22(14-16-23-9-6-12-25(27)20-23)15-17-24-10-7-13-26(28)21-24/h6-7,9-10,12-13,20-22,29H,2-5,8,11,14-19H2,1H3
InChIKeyLEGLUOQYZDKQNP-UHFFFAOYSA-N
XLogP8.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.40
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-[(3-bromophenyl)methyl]-N-methyloctan-1-amine
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2-[(3-bromophenyl)methyl]-N-ethylhexan-1-amine
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CID 63495988
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CID 173180979
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-(3-bromophenyl)-N-ethyloctan-2-amine
CID 63413493
N-butyl-4-hexyldocosan-1-amine
CID 172700029
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CID 10469447

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine?
The IUPAC name of 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine (CID 54029025) is 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine.
What is the SMILES notation for 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine?
The canonical SMILES for 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine is CCCCCCNCCCC(CCc1cccc(Br)c1)CCc1cccc(Br)c1.
What is the InChIKey of 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine?
The InChIKey is LEGLUOQYZDKQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37Br2N/c1-2-3-4-5-18-29-19-8-11-22(14-16-23-9-6-12-25(27)20-23)15-17-24-10-7-13-26(28)21-24/h6-7,9-10,12-13,20-22,29H,2-5,8,11,14-19H2,1H3.
What are the key properties of 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine?
6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine has a molecular weight of 523.40 g/mol, XLogP of 8.34, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-4-[2-(3-bromophenyl)ethyl]-N-hexylhexan-1-amine is sourced from PubChem (CID 54029025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).