1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine

C16H24BrNO3 — CID 103556513

IUPAC1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine
SMILESCOCCOc1ccc(C(N)CC2(OC)CCC2)cc1Br
InChIInChI=1S/C16H24BrNO3/c1-19-8-9-21-15-5-4-12(10-13(15)17)14(18)11-16(20-2)6-3-7-16/h4-5,10,14H,3,6-9,11,18H2,1-2H3
InChIKeyBOZWRPRHYNEDJA-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.43
Rot. Bonds8

About 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine

1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103556513) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103556513
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine
SMILESCOCCOc1ccc(C(N)CC2(OC)CCC2)cc1Br
InChIInChI=1S/C16H24BrNO3/c1-19-8-9-21-15-5-4-12(10-13(15)17)14(18)11-16(20-2)6-3-7-16/h4-5,10,14H,3,6-9,11,18H2,1-2H3
InChIKeyBOZWRPRHYNEDJA-UHFFFAOYSA-N
XLogP3.43
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556124
1-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
CID 104658143
1-(3-bromo-4-ethoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556510
[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine
CID 104658151
1-(3-bromo-4-methoxyphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103556204
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
(1S)-1-[3-bromo-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103403037
1-(2-bromo-4-ethoxyphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556435
2-bromo-4-(1-bromo-2-cyclobutylethyl)-1-(2-methoxyethoxy)benzene
CID 103166047
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine (CID 103556513) is 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine is COCCOc1ccc(C(N)CC2(OC)CCC2)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is BOZWRPRHYNEDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-19-8-9-21-15-5-4-12(10-13(15)17)14(18)11-16(20-2)6-3-7-16/h4-5,10,14H,3,6-9,11,18H2,1-2H3.
What are the key properties of 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine?
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 358.28 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103556513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).