1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine

C13H19BrFNO2 — CID 102928014

IUPAC1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFNO2/c1-17-6-7-18-5-4-12(16)9-10-8-11(15)2-3-13(10)14/h2-3,8,12H,4-7,9,16H2,1H3
InChIKeyIZMKGIALHZZFCD-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.51
Rot. Bonds8

About 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine

1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine (PubChem CID 102928014) has the molecular formula C13H19BrFNO2 and a molecular weight of 320.20 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
PubChem CID102928014
Molecular FormulaC13H19BrFNO2
Molecular Weight320.20 g/mol
Exact Mass319.06
IUPAC Name1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
SMILESCOCCOCCC(N)Cc1cc(F)ccc1Br
InChIInChI=1S/C13H19BrFNO2/c1-17-6-7-18-5-4-12(16)9-10-8-11(15)2-3-13(10)14/h2-3,8,12H,4-7,9,16H2,1H3
InChIKeyIZMKGIALHZZFCD-UHFFFAOYSA-N
XLogP2.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.51
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-(2-bromo-5-fluorophenyl)pentan-2-amine
CID 62601078
1-(2-bromo-5-fluorophenyl)-5-methylhexan-2-amine
CID 62604665
1-(2-bromo-3-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine
CID 102927780
4-(2-bromo-5-fluorophenyl)-1-N,1-N-diethylbutane-1,3-diamine
CID 79087890
1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
CID 65092447
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
1-(2-bromo-5-fluorophenyl)-3-methoxypropan-2-ol
CID 62608798
1-[5-fluoro-2-[3-(2-methoxyethoxy)propoxy]phenyl]butan-2-amine
CID 107701721
2-bromo-4-fluoro-1-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 104564389
1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 62601198
1-(2-bromo-5-fluorophenyl)-3-tert-butylsulfanylpropan-2-amine
CID 65132660
1-(2-bromo-5-fluorophenyl)-3-methoxypentan-2-amine
CID 116715046

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine (CID 102928014) is 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine is COCCOCCC(N)Cc1cc(F)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine?
The InChIKey is IZMKGIALHZZFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFNO2/c1-17-6-7-18-5-4-12(16)9-10-8-11(15)2-3-13(10)14/h2-3,8,12H,4-7,9,16H2,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine?
1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine has a molecular weight of 320.20 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-4-(2-methoxyethoxy)butan-2-amine is sourced from PubChem (CID 102928014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).