1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine

C15H24BrNO — CID 112754827

IUPAC1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine
SMILESCCNC(CCCCOC)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-4-17-15(7-5-6-8-18-3)13-9-12(2)10-14(16)11-13/h9-11,15,17H,4-8H2,1-3H3
InChIKeyWJBIQNRBXSTABD-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.22
Rot. Bonds8

About 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine

1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine (PubChem CID 112754827) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine
PubChem CID112754827
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine
SMILESCCNC(CCCCOC)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H24BrNO/c1-4-17-15(7-5-6-8-18-3)13-9-12(2)10-14(16)11-13/h9-11,15,17H,4-8H2,1-3H3
InChIKeyWJBIQNRBXSTABD-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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 104987248
1-(3-bromo-5-methylphenyl)-N-ethylhex-4-yn-1-amine
CID 105037089
1-(3,5-difluorophenyl)-N-ethyl-4-methoxybutan-1-amine
CID 62605745
1-(3-bromo-5-methylphenyl)-N-methylheptan-1-amine
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1-(3-bromo-5-methylphenyl)pentylhydrazine
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1-(3-bromo-5-fluorophenyl)-N-ethylnonan-1-amine
CID 66424848
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methoxybutan-1-amine
CID 105054751
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(6-methoxypyrimidin-4-yl)ethanamine
CID 104853290
1-(3-bromo-5-methylphenyl)-N-ethyl-2-(1,3-thiazol-5-yl)ethanamine
CID 105030297
1-(3,5-dimethyl-2-pyridinyl)-N-ethyl-4-methoxybutan-1-amine
CID 114856913

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine (CID 112754827) is 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine is CCNC(CCCCOC)c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine?
The InChIKey is WJBIQNRBXSTABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-4-17-15(7-5-6-8-18-3)13-9-12(2)10-14(16)11-13/h9-11,15,17H,4-8H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine?
1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-N-ethyl-5-methoxypentan-1-amine is sourced from PubChem (CID 112754827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).