1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine

C15H24BrNO2 — CID 61483612

IUPAC1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine
SMILESCCCCOCCOc1c(Br)cccc1CC(C)N
InChIInChI=1S/C15H24BrNO2/c1-3-4-8-18-9-10-19-15-13(11-12(2)17)6-5-7-14(15)16/h5-7,12H,3-4,8-11,17H2,1-2H3
InChIKeyRVMZYXGYYBGVFB-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.53
Rot. Bonds9

About 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine

1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine (PubChem CID 61483612) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine
PubChem CID61483612
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine
SMILESCCCCOCCOc1c(Br)cccc1CC(C)N
InChIInChI=1S/C15H24BrNO2/c1-3-4-8-18-9-10-19-15-13(11-12(2)17)6-5-7-14(15)16/h5-7,12H,3-4,8-11,17H2,1-2H3
InChIKeyRVMZYXGYYBGVFB-UHFFFAOYSA-N
XLogP3.53
TPSA44.48 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 ≤ 53.53
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

1-(3-bromo-2-octoxyphenyl)propan-2-amine
CID 63421974
1-[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]propan-2-amine
CID 115962897
1-[3-bromo-2-[2-(trifluoromethylsulfanyl)ethoxy]phenyl]propan-2-amine
CID 116617144
1-(3-bromo-2-propoxyphenyl)butan-2-amine
CID 61392389
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-[4-(2-butoxyethoxy)phenyl]propan-2-amine
CID 54956350
1-[3-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]propan-2-amine
CID 61392036
2-[2-(2-aminopropyl)-6-bromophenoxy]acetonitrile
CID 61392513
1-[2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]propan-2-amine
CID 103411586
1-(3-chloro-2-heptoxyphenyl)propan-2-amine
CID 112615606
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine (CID 61483612) is 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine is CCCCOCCOc1c(Br)cccc1CC(C)N.
What is the InChIKey of 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine?
The InChIKey is RVMZYXGYYBGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-3-4-8-18-9-10-19-15-13(11-12(2)17)6-5-7-14(15)16/h5-7,12H,3-4,8-11,17H2,1-2H3.
What are the key properties of 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine?
1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(2-butoxyethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 61483612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).