[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine

C15H18BrNO3 — CID 104658151

IUPAC[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine
SMILESCOCCOc1ccc(C(N)c2occc2C)cc1Br
InChIInChI=1S/C15H18BrNO3/c1-10-5-6-20-15(10)14(17)11-3-4-13(12(16)9-11)19-8-7-18-2/h3-6,9,14H,7-8,17H2,1-2H3
InChIKeyWBSMLCPDCPWMGP-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.42
Rot. Bonds6

About [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine

[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine (PubChem CID 104658151) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine
PubChem CID104658151
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC Name[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine
SMILESCOCCOc1ccc(C(N)c2occc2C)cc1Br
InChIInChI=1S/C15H18BrNO3/c1-10-5-6-20-15(10)14(17)11-3-4-13(12(16)9-11)19-8-7-18-2/h3-6,9,14H,7-8,17H2,1-2H3
InChIKeyWBSMLCPDCPWMGP-UHFFFAOYSA-N
XLogP3.42
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.42
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-bromo-4-(2-methoxyethoxy)phenyl]ethanamine
CID 62911727
3-[bromo-[3-bromo-4-(2-methoxyethoxy)phenyl]methyl]-2-methylfuran
CID 104662353
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylphenyl)methanol
CID 104661341
1-(3-bromo-4-ethoxyphenyl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 104657492
(1S)-1-[3-bromo-4-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104663507
2-bromo-4-(1-bromo-2,2-difluoroethyl)-1-(2-methoxyethoxy)benzene
CID 103514667
(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
6-bicyclo[3.1.0]hexanyl-[3-bromo-4-(2-methoxyethoxy)phenyl]methanamine
CID 104658143
2-(3-bromo-4-methoxyphenyl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804312
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 104657808
[3-bromo-4-(2-methoxyethoxy)phenyl]-(2-methyloxolan-3-yl)methanamine
CID 104658180

Frequently Asked Questions

What is the IUPAC name of [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine?
The IUPAC name of [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine (CID 104658151) is [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine is COCCOc1ccc(C(N)c2occc2C)cc1Br.
What is the InChIKey of [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine?
The InChIKey is WBSMLCPDCPWMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-10-5-6-20-15(10)14(17)11-3-4-13(12(16)9-11)19-8-7-18-2/h3-6,9,14H,7-8,17H2,1-2H3.
What are the key properties of [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine?
[3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine has a molecular weight of 340.22 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-4-(2-methoxyethoxy)phenyl]-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 104658151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).