N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine

C17H21Br2NO2 — CID 17209187

IUPACN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C17H21Br2NO2/c1-12(2)21-9-3-8-20-11-14-5-7-17(22-14)15-6-4-13(18)10-16(15)19/h4-7,10,12,20H,3,8-9,11H2,1-2H3
InChIKeyVTZATVLUNJNGLW-UHFFFAOYSA-N
MW431.17 g/mol
LogP5.38
Rot. Bonds8

About N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine

N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 17209187) has the molecular formula C17H21Br2NO2 and a molecular weight of 431.17 g/mol. Its IUPAC name is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID17209187
Molecular FormulaC17H21Br2NO2
Molecular Weight431.17 g/mol
Exact Mass428.99
IUPAC NameN-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1ccc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C17H21Br2NO2/c1-12(2)21-9-3-8-20-11-14-5-7-17(22-14)15-6-4-13(18)10-16(15)19/h4-7,10,12,20H,3,8-9,11H2,1-2H3
InChIKeyVTZATVLUNJNGLW-UHFFFAOYSA-N
XLogP5.38
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.17
LogP ≤ 55.38
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-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
N',N'-dibutyl-N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214901
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
CID 17213094
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-methoxyethanamine
CID 17056480
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17213093
2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
CID 66527849
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine
CID 17213116
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726559
1-[5-(2,4-dibromophenyl)furan-2-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 17213032

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine (CID 17209187) is N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1ccc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is VTZATVLUNJNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Br2NO2/c1-12(2)21-9-3-8-20-11-14-5-7-17(22-14)15-6-4-13(18)10-16(15)19/h4-7,10,12,20H,3,8-9,11H2,1-2H3.
What are the key properties of N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine?
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 431.17 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 17209187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).