N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride

C11H19Cl2NO2 — CID 115584528

IUPACN-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
SMILESCCOCCCCNCc1ccc(Cl)o1.Cl
InChIInChI=1S/C11H18ClNO2.ClH/c1-2-14-8-4-3-7-13-9-10-5-6-11(12)15-10;/h5-6,13H,2-4,7-9H2,1H3;1H
InChIKeyVUXCOZHZHLJUPA-UHFFFAOYSA-N
MW268.18 g/mol
LogP3.26
Rot. Bonds8

About N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride

N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride (PubChem CID 115584528) has the molecular formula C11H19Cl2NO2 and a molecular weight of 268.18 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
PubChem CID115584528
Molecular FormulaC11H19Cl2NO2
Molecular Weight268.18 g/mol
Exact Mass267.08
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride
SMILESCCOCCCCNCc1ccc(Cl)o1.Cl
InChIInChI=1S/C11H18ClNO2.ClH/c1-2-14-8-4-3-7-13-9-10-5-6-11(12)15-10;/h5-6,13H,2-4,7-9H2,1H3;1H
InChIKeyVUXCOZHZHLJUPA-UHFFFAOYSA-N
XLogP3.26
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-butoxy-N-[(5-chlorofuran-2-yl)methyl]propan-1-amine
CID 115572603
4-ethoxy-N-[(5-ethylfuran-2-yl)methyl]butan-1-amine
CID 115697359
2-butoxy-N-[(5-chlorofuran-2-yl)methyl]ethanamine
CID 61168934
N-[(5-chlorofuran-2-yl)methyl]-3-methoxypropan-1-amine
CID 60662772
2-[3-[(5-chlorofuran-2-yl)methylamino]propoxy]ethanol
CID 103992501
ethyl 4-[(5-chlorofuran-2-yl)methylamino]butanoate
CID 60696105
3-ethoxy-N-[(5-nitrofuran-2-yl)methyl]propan-1-amine
CID 43765268
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
N-[(5-chlorofuran-2-yl)methyl]pent-4-yn-1-amine
CID 103701651
5-[(5-chlorofuran-2-yl)methylamino]pentan-2-ol
CID 107267883
N-[(4-bromophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584489

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride (CID 115584528) is N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride is CCOCCCCNCc1ccc(Cl)o1.Cl.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride?
The InChIKey is VUXCOZHZHLJUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2.ClH/c1-2-14-8-4-3-7-13-9-10-5-6-11(12)15-10;/h5-6,13H,2-4,7-9H2,1H3;1H.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride?
N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride has a molecular weight of 268.18 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-4-ethoxybutan-1-amine;hydrochloride is sourced from PubChem (CID 115584528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).