2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine

C15H24BrNO — CID 112621515

IUPAC2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
SMILESCCCCCCOc1c(C)cc(Br)cc1CCN
InChIInChI=1S/C15H24BrNO/c1-3-4-5-6-9-18-15-12(2)10-14(16)11-13(15)7-8-17/h10-11H,3-9,17H2,1-2H3
InChIKeyZAIUXDRMOPHDKN-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.22
Rot. Bonds8

About 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine

2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine (PubChem CID 112621515) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
PubChem CID112621515
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine
SMILESCCCCCCOc1c(C)cc(Br)cc1CCN
InChIInChI=1S/C15H24BrNO/c1-3-4-5-6-9-18-15-12(2)10-14(16)11-13(15)7-8-17/h10-11H,3-9,17H2,1-2H3
InChIKeyZAIUXDRMOPHDKN-UHFFFAOYSA-N
XLogP4.22
TPSA35.25 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

(5-bromo-2-hexoxy-3-methylphenyl)methanamine
CID 112619692
2-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]ethanamine
CID 112621647
5-bromo-1-(chloromethyl)-3-methyl-2-octoxybenzene
CID 112621183
5-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]pentanenitrile
CID 112621576
5-bromo-1-(chloromethyl)-3-methyl-2-pentoxybenzene
CID 112621234
1-(5-bromo-2-heptoxy-3-methylphenyl)propan-2-amine
CID 115962769
1-(5-bromo-3-methyl-2-octoxyphenyl)-N-methylmethanamine
CID 115960948
2-[5-bromo-3-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanamine
CID 112621624
4-[2-(2-aminoethyl)-4-bromo-6-methylphenoxy]-N,N-dimethylbutanamide
CID 115962707
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
2-(5-bromo-3-methyl-2-pentan-2-yloxyphenyl)ethanamine
CID 107885585
2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
CID 82053274

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine (CID 112621515) is 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine is CCCCCCOc1c(C)cc(Br)cc1CCN.
What is the InChIKey of 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine?
The InChIKey is ZAIUXDRMOPHDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-3-4-5-6-9-18-15-12(2)10-14(16)11-13(15)7-8-17/h10-11H,3-9,17H2,1-2H3.
What are the key properties of 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine?
2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine 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 2-(5-bromo-2-hexoxy-3-methylphenyl)ethanamine is sourced from PubChem (CID 112621515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).