[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium

C15H19ClNO2+ — CID 7425255

IUPAC[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
SMILESCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C15H18ClNO2/c1-3-8-17-10-12-5-7-14(19-12)11-4-6-15(18-2)13(16)9-11/h4-7,9,17H,3,8,10H2,1-2H3/p+1
InChIKeyAWGQKFWPLBIQHY-UHFFFAOYSA-O
MW280.78 g/mol
LogP3.08
Rot. Bonds6

About [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium

[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium (PubChem CID 7425255) has the molecular formula C15H19ClNO2+ and a molecular weight of 280.78 g/mol. Its IUPAC name is [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium.

Molecular Properties

Compound Name[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
PubChem CID7425255
Molecular FormulaC15H19ClNO2+
Molecular Weight280.78 g/mol
Exact Mass280.11
IUPAC Name[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium
SMILESCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1
InChIInChI=1S/C15H18ClNO2/c1-3-8-17-10-12-5-7-14(19-12)11-4-6-15(18-2)13(16)9-11/h4-7,9,17H,3,8,10H2,1-2H3/p+1
InChIKeyAWGQKFWPLBIQHY-UHFFFAOYSA-O
XLogP3.08
TPSA38.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium 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-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-[(2S)-1-hydroxybutan-2-yl]azanium
CID 7425244
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]-N-methylmethanamine
CID 4724470
1-[5-(3-chloro-4-methoxyphenyl)furan-2-yl]butan-2-amine
CID 170889123
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]pentan-1-amine
CID 4724475
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1,2,4-triazol-4-amine
CID 4727079
2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]butan-1-ol
CID 4724459
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-1-phenylbutan-1-amine
CID 17156412
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-diethylethane-1,2-diamine;dihydrochloride
CID 17333054
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4724521
[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl-(2-hydroxyethyl)azanium
CID 7425272
2-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylazaniumyl]ethyl-dimethylazanium
CID 7425291
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium?
The IUPAC name of [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium (CID 7425255) is [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium.
What is the SMILES notation for [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium?
The canonical SMILES for [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium is CCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1.
What is the InChIKey of [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium?
The InChIKey is AWGQKFWPLBIQHY-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18ClNO2/c1-3-8-17-10-12-5-7-14(19-12)11-4-6-15(18-2)13(16)9-11/h4-7,9,17H,3,8,10H2,1-2H3/p+1.
What are the key properties of [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium?
[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium has a molecular weight of 280.78 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl-propylazanium is sourced from PubChem (CID 7425255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).