[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium

C16H18Cl2NO2+ — CID 8622324

IUPAC[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESClc1ccc(Cl)c(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c1
InChIInChI=1S/C16H17Cl2NO2/c17-11-3-5-15(18)14(8-11)16-6-4-13(21-16)10-19-9-12-2-1-7-20-12/h3-6,8,12,19H,1-2,7,9-10H2/p+1/t12-/m0/s1
InChIKeyRKJHZYAGZPSYAU-LBPRGKRZSA-O
MW327.23 g/mol
LogP3.50
Rot. Bonds5

About [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium (PubChem CID 8622324) has the molecular formula C16H18Cl2NO2+ and a molecular weight of 327.23 g/mol. Its IUPAC name is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
PubChem CID8622324
Molecular FormulaC16H18Cl2NO2+
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC Name[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium
SMILESClc1ccc(Cl)c(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c1
InChIInChI=1S/C16H17Cl2NO2/c17-11-3-5-15(18)14(8-11)16-6-4-13(21-16)10-19-9-12-2-1-7-20-12/h3-6,8,12,19H,1-2,7,9-10H2/p+1/t12-/m0/s1
InChIKeyRKJHZYAGZPSYAU-LBPRGKRZSA-O
XLogP3.50
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(2,5-dichlorophenyl)furan-2-yl]methyl-(3-ethoxypropyl)azanium
CID 8622342
[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methyl-[[(2R)-oxolan-2-yl]methyl]azanium
CID 8639058
cyclooctyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8637118
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
CID 8622297
(Z)-2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 45042904
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425147
5-(2,5-dichlorophenyl)-N-[(3-methylthiophen-2-yl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 35572877
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4724559
(2-chlorophenyl)methyl-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8636558
1-[5-(2,5-dichlorophenyl)furan-2-yl]-N-methylpropan-2-amine
CID 63084440
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
3-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]cyclobutane-1-carboxylic acid
CID 167927597

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium (CID 8622324) is [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium is Clc1ccc(Cl)c(-c2ccc(C[NH2+]C[C@@H]3CCCO3)o2)c1.
What is the InChIKey of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
The InChIKey is RKJHZYAGZPSYAU-LBPRGKRZSA-O. The full InChI is InChI=1S/C16H17Cl2NO2/c17-11-3-5-15(18)14(8-11)16-6-4-13(21-16)10-19-9-12-2-1-7-20-12/h3-6,8,12,19H,1-2,7,9-10H2/p+1/t12-/m0/s1.
What are the key properties of [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium?
[5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium has a molecular weight of 327.23 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dichlorophenyl)furan-2-yl]methyl-[[(2S)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 8622324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).