2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine

C11H18ClNO2 — CID 61168934

IUPAC2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
SMILESCCCCOCCNCc1ccc(Cl)o1
InChIInChI=1S/C11H18ClNO2/c1-2-3-7-14-8-6-13-9-10-4-5-11(12)15-10/h4-5,13H,2-3,6-9H2,1H3
InChIKeyNDBDYXUQHJLHTK-UHFFFAOYSA-N
MW231.72 g/mol
LogP2.84
Rot. Bonds8

About 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine

2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine (PubChem CID 61168934) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
PubChem CID61168934
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
SMILESCCCCOCCNCc1ccc(Cl)o1
InChIInChI=1S/C11H18ClNO2/c1-2-3-7-14-8-6-13-9-10-4-5-11(12)15-10/h4-5,13H,2-3,6-9H2,1H3
InChIKeyNDBDYXUQHJLHTK-UHFFFAOYSA-N
XLogP2.84
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine 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

3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
[5-[(2-butoxyethylamino)methyl]furan-2-yl]methanol
CID 64591603
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
CID 115584528
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine
CID 17207835
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-butoxypropan-1-amine;hydrochloride
CID 17207834
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840
3-butoxy-N-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207913
2-butoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 61169329

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine (CID 61168934) is 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine is CCCCOCCNCc1ccc(Cl)o1.
What is the InChIKey of 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine?
The InChIKey is NDBDYXUQHJLHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-2-3-7-14-8-6-13-9-10-4-5-11(12)15-10/h4-5,13H,2-3,6-9H2,1H3.
What are the key properties of 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine?
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine has a molecular weight of 231.72 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 61168934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).