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

C8H13ClN2O — CID 106684725

IUPACN'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccoc1Cl
InChIInChI=1S/C8H13ClN2O/c1-11(4-3-10)6-7-2-5-12-8(7)9/h2,5H,3-4,6,10H2,1H3
InChIKeyZSYXSKWSSPZEOP-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.32
Rot. Bonds4

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

N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine (PubChem CID 106684725) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine
PubChem CID106684725
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC NameN'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1ccoc1Cl
InChIInChI=1S/C8H13ClN2O/c1-11(4-3-10)6-7-2-5-12-8(7)9/h2,5H,3-4,6,10H2,1H3
InChIKeyZSYXSKWSSPZEOP-UHFFFAOYSA-N
XLogP1.32
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine (CID 106684725) is N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1ccoc1Cl.
What is the InChIKey of N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine?
The InChIKey is ZSYXSKWSSPZEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-11(4-3-10)6-7-2-5-12-8(7)9/h2,5H,3-4,6,10H2,1H3.
What are the key properties of N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine?
N'-[(2-chlorofuran-3-yl)methyl]-N'-methylethane-1,2-diamine has a molecular weight of 188.66 g/mol, XLogP of 1.32, 4 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'-methylethane-1,2-diamine is sourced from PubChem (CID 106684725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).