6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine

C16H22BrNO2 — CID 104658143

IUPAC6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccc(C(N)C2C3CCCC32)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-19-7-8-20-14-6-5-10(9-13(14)17)16(18)15-11-3-2-4-12(11)15/h5-6,9,11-12,15-16H,2-4,7-8,18H2,1H3
InChIKeyDPZPQEBQMUJYAT-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.52
Rot. Bonds6

About 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine

6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine (PubChem CID 104658143) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
PubChem CID104658143
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
SMILESCOCCOc1ccc(C(N)C2C3CCCC32)cc1Br
InChIInChI=1S/C16H22BrNO2/c1-19-7-8-20-14-6-5-10(9-13(14)17)16(18)15-11-3-2-4-12(11)15/h5-6,9,11-12,15-16H,2-4,7-8,18H2,1H3
InChIKeyDPZPQEBQMUJYAT-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.52
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-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine
CID 104658180
2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
CID 103166047
[3-bromo-4-(2-methoxyethoxy)phenyl]-(1,1-dioxothiolan-3-yl)methanamine
CID 104658136
6-bicyclo[3.1.0]hexanyl-(3-bromo-4-ethoxyphenyl)methanol
CID 104661081
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine
CID 103556513
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopentyl-N-methylethanamine
CID 104658264
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine
CID 104658151

Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine (CID 104658143) is 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine is COCCOc1ccc(C(N)C2C3CCCC32)cc1Br.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine?
The InChIKey is DPZPQEBQMUJYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-19-7-8-20-14-6-5-10(9-13(14)17)16(18)15-11-3-2-4-12(11)15/h5-6,9,11-12,15-16H,2-4,7-8,18H2,1H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine?
6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine has a molecular weight of 340.26 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine is sourced from PubChem (CID 104658143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).