N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine

C9H15ClN2O — CID 106684695

IUPACN-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccoc1Cl
InChIInChI=1S/C9H15ClN2O/c1-12(2)5-4-11-7-8-3-6-13-9(8)10/h3,6,11H,4-5,7H2,1-2H3
InChIKeyKJCMMHCRBQQTEG-UHFFFAOYSA-N
MW202.69 g/mol
LogP1.58
Rot. Bonds5

About N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine

N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 106684695) has the molecular formula C9H15ClN2O and a molecular weight of 202.69 g/mol. Its IUPAC name is N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID106684695
Molecular FormulaC9H15ClN2O
Molecular Weight202.69 g/mol
Exact Mass202.09
IUPAC NameN-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCc1ccoc1Cl
InChIInChI=1S/C9H15ClN2O/c1-12(2)5-4-11-7-8-3-6-13-9(8)10/h3,6,11H,4-5,7H2,1-2H3
InChIKeyKJCMMHCRBQQTEG-UHFFFAOYSA-N
XLogP1.58
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.69
LogP ≤ 51.58
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

2-N-[(2-chlorofuran-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106684718
methyl 3-[[2-(dimethylamino)ethylamino]methyl]furan-2-carboxylate
CID 43424817
N-[(2,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 4720305
N-[(3,4-dichlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 5222337
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
N-[(2-bromo-4-chlorophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 81495683
N-[(2-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 62392429
N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 106684725
N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 166473574
N,N,N'-trimethyl-N'-[[3-(propylaminomethyl)furan-2-yl]methyl]propane-1,3-diamine
CID 63726681
N-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4312407
N',N'-dimethyl-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
CID 62758290

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine (CID 106684695) is N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCc1ccoc1Cl.
What is the InChIKey of N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KJCMMHCRBQQTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-12(2)5-4-11-7-8-3-6-13-9(8)10/h3,6,11H,4-5,7H2,1-2H3.
What are the key properties of N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine?
N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 202.69 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorofuran-3-yl)methyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 106684695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).