1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride

C16H22BrCl3N2O2 — CID 17056230

IUPAC1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCC(O)CNCCNCc1ccc(-c2ccc(Br)cc2Cl)o1.Cl.Cl
InChIInChI=1S/C16H20BrClN2O2.2ClH/c1-11(21)9-19-6-7-20-10-13-3-5-16(22-13)14-4-2-12(17)8-15(14)18;;/h2-5,8,11,19-21H,6-7,9-10H2,1H3;2*1H
InChIKeyVCZPVIJEZZPDDC-UHFFFAOYSA-N
MW460.63 g/mol
LogP4.27
Rot. Bonds8

About 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride

1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride (PubChem CID 17056230) has the molecular formula C16H22BrCl3N2O2 and a molecular weight of 460.63 g/mol. Its IUPAC name is 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride
PubChem CID17056230
Molecular FormulaC16H22BrCl3N2O2
Molecular Weight460.63 g/mol
Exact Mass457.99
IUPAC Name1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride
SMILESCC(O)CNCCNCc1ccc(-c2ccc(Br)cc2Cl)o1.Cl.Cl
InChIInChI=1S/C16H20BrClN2O2.2ClH/c1-11(21)9-19-6-7-20-10-13-3-5-16(22-13)14-4-2-12(17)8-15(14)18;;/h2-5,8,11,19-21H,6-7,9-10H2,1H3;2*1H
InChIKeyVCZPVIJEZZPDDC-UHFFFAOYSA-N
XLogP4.27
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.63
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride with MolForge

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Related Compounds

N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]butan-1-amine;hydrochloride
CID 17056161
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]hexan-1-amine
CID 17056191
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211415
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 17208292
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
[5-(4-bromo-2-chlorophenyl)furan-2-yl]methanamine
CID 43347493
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]hexan-1-amine;hydrochloride
CID 17213045
N-[[5-(2,4-dibromophenyl)furan-2-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 17209187
N-[[5-(2-chloro-4-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 43624793
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The IUPAC name of 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride (CID 17056230) is 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride.
What is the SMILES notation for 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The canonical SMILES for 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride is CC(O)CNCCNCc1ccc(-c2ccc(Br)cc2Cl)o1.Cl.Cl.
What is the InChIKey of 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
The InChIKey is VCZPVIJEZZPDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrClN2O2.2ClH/c1-11(21)9-19-6-7-20-10-13-3-5-16(22-13)14-4-2-12(17)8-15(14)18;;/h2-5,8,11,19-21H,6-7,9-10H2,1H3;2*1H.
What are the key properties of 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride?
1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride has a molecular weight of 460.63 g/mol, XLogP of 4.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methylamino]ethylamino]propan-2-ol;dihydrochloride is sourced from PubChem (CID 17056230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).