1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine

C15H24BrNO — CID 79405562

IUPAC1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
SMILESCCCCC(Cc1ccc(OC)c(Br)c1)NCC
InChIInChI=1S/C15H24BrNO/c1-4-6-7-13(17-5-2)10-12-8-9-15(18-3)14(16)11-12/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyWJKYGDRANYLKRH-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.17
Rot. Bonds8

About 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine

1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine (PubChem CID 79405562) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
PubChem CID79405562
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
SMILESCCCCC(Cc1ccc(OC)c(Br)c1)NCC
InChIInChI=1S/C15H24BrNO/c1-4-6-7-13(17-5-2)10-12-8-9-15(18-3)14(16)11-12/h8-9,11,13,17H,4-7,10H2,1-3H3
InChIKeyWJKYGDRANYLKRH-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(3-bromo-4-methoxyphenyl)-3-cyclopentyl-N-ethylpropan-2-amine
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1-(3,4-dimethylphenyl)-N-ethylhexan-2-amine
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1-(3-bromo-4-methoxyphenyl)-4-methyl-N-propylpentan-2-amine
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2-(3-bromo-4-methoxyphenyl)-N-[1-(3-methoxyphenyl)hexan-2-yl]acetamide
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1-(3-bromo-4-methoxyphenyl)undecan-2-ol
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1-(3-bromo-4-methoxyphenyl)-N-ethyl-3,3-dimethylpentan-2-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine (CID 79405562) is 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine is CCCCC(Cc1ccc(OC)c(Br)c1)NCC.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine?
The InChIKey is WJKYGDRANYLKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-6-7-13(17-5-2)10-12-8-9-15(18-3)14(16)11-12/h8-9,11,13,17H,4-7,10H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine?
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine is sourced from PubChem (CID 79405562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).