4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine

C15H24BrNO2 — CID 107726759

IUPAC4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCOc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H24BrNO2/c1-12-10-14(11-13(2)15(12)16)19-8-5-4-6-17-7-9-18-3/h10-11,17H,4-9H2,1-3H3
InChIKeyVOPSZRPITGOUKJ-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.46
Rot. Bonds9

About 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine

4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 107726759) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
PubChem CID107726759
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCOc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H24BrNO2/c1-12-10-14(11-13(2)15(12)16)19-8-5-4-6-17-7-9-18-3/h10-11,17H,4-9H2,1-3H3
InChIKeyVOPSZRPITGOUKJ-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62584314
N-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 107726662
5-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107726323
3-(4-bromo-3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 92922065
4-(4-bromo-3-fluorophenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 65201584
N-(2-methoxyethyl)-6-phenoxyhexan-1-amine
CID 64503530
N-(2-methoxyethyl)-4-(3-methoxyphenoxy)butan-1-amine
CID 62572887
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
CID 107723451
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234
4-(4-tert-butylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 62572894
5-(4-bromo-2,5-dimethylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65305614
2-bromo-1,3-dimethyl-5-(4-methylpentoxy)benzene
CID 107723972

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine (CID 107726759) is 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCOc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is VOPSZRPITGOUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-12-10-14(11-13(2)15(12)16)19-8-5-4-6-17-7-9-18-3/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine?
4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 330.27 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 107726759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).