N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine

C15H18BrNO2 — CID 17056480

IUPACN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-c2ccc(Br)cc2C)o1
InChIInChI=1S/C15H18BrNO2/c1-11-9-12(16)3-5-14(11)15-6-4-13(19-15)10-17-7-8-18-2/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyKIRRYKUQHLSBLZ-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.75
Rot. Bonds6

About N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine

N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine (PubChem CID 17056480) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
PubChem CID17056480
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1ccc(-c2ccc(Br)cc2C)o1
InChIInChI=1S/C15H18BrNO2/c1-11-9-12(16)3-5-14(11)15-6-4-13(19-15)10-17-7-8-18-2/h3-6,9,17H,7-8,10H2,1-2H3
InChIKeyKIRRYKUQHLSBLZ-UHFFFAOYSA-N
XLogP3.75
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.75
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

N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471769
1-(1,3-benzodioxol-5-yl)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]methanamine
CID 17056439
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine
CID 17056447
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 17056498
2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17056402
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17209187
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 17056405
(1R)-N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 29187702
1-[5-(4-bromo-2-methylphenyl)furan-2-yl]propan-2-one
CID 81288975
2-(cyclopropylmethoxy)-N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]ethanamine
CID 86960006

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine (CID 17056480) is N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine is COCCNCc1ccc(-c2ccc(Br)cc2C)o1.
What is the InChIKey of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is KIRRYKUQHLSBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c1-11-9-12(16)3-5-14(11)15-6-4-13(19-15)10-17-7-8-18-2/h3-6,9,17H,7-8,10H2,1-2H3.
What are the key properties of N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine?
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 324.22 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 17056480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).