[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium

C15H19BrNO2+ — CID 7450436

IUPAC[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
SMILESCc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@@H](C)O)o1
InChIInChI=1S/C15H18BrNO2/c1-10-7-12(16)3-5-14(10)15-6-4-13(19-15)9-17-8-11(2)18/h3-7,11,17-18H,8-9H2,1-2H3/p+1/t11-/m1/s1
InChIKeyFILFBWYYZNLJMW-LLVKDONJSA-O
MW325.23 g/mol
LogP2.46
Rot. Bonds5

About [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium

[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium (PubChem CID 7450436) has the molecular formula C15H19BrNO2+ and a molecular weight of 325.23 g/mol. Its IUPAC name is [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium.

Molecular Properties

Compound Name[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
PubChem CID7450436
Molecular FormulaC15H19BrNO2+
Molecular Weight325.23 g/mol
Exact Mass324.06
IUPAC Name[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
SMILESCc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@@H](C)O)o1
InChIInChI=1S/C15H18BrNO2/c1-10-7-12(16)3-5-14(10)15-6-4-13(19-15)9-17-8-11(2)18/h3-7,11,17-18H,8-9H2,1-2H3/p+1/t11-/m1/s1
InChIKeyFILFBWYYZNLJMW-LLVKDONJSA-O
XLogP2.46
TPSA49.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-bromophenyl)furan-2-yl]methyl-[2-[[(2R)-2-hydroxypropyl]azaniumyl]ethyl]azanium
CID 7425197
1-[5-(4-bromo-2-methylphenyl)furan-2-yl]propan-2-one
CID 81288975
3-[5-(4-bromo-2-methylphenyl)furan-2-yl]propanehydrazide
CID 91686849
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
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
2-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 17056402
N'-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 17056478
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-[(2S)-2-hydroxypropyl]azanium
CID 7425278
(4-bromophenyl)methyl-[(2R)-2-hydroxypropyl]azanium
CID 7827918
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]-2-methoxyethanamine
CID 17056480
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium?
The IUPAC name of [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium (CID 7450436) is [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium.
What is the SMILES notation for [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium?
The canonical SMILES for [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium is Cc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@@H](C)O)o1.
What is the InChIKey of [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium?
The InChIKey is FILFBWYYZNLJMW-LLVKDONJSA-O. The full InChI is InChI=1S/C15H18BrNO2/c1-10-7-12(16)3-5-14(10)15-6-4-13(19-15)9-17-8-11(2)18/h3-7,11,17-18H,8-9H2,1-2H3/p+1/t11-/m1/s1.
What are the key properties of [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium?
[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium has a molecular weight of 325.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-2-methylphenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium is sourced from PubChem (CID 7450436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).