1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine

C8H14N2O2 — CID 55273586

IUPAC1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine
SMILESCOCc1ccc(C(N)CN)o1
InChIInChI=1S/C8H14N2O2/c1-11-5-6-2-3-8(12-6)7(10)4-9/h2-3,7H,4-5,9-10H2,1H3
InChIKeyWJPFQRLMOHHESU-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.38
Rot. Bonds4

About 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine

1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine (PubChem CID 55273586) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine
PubChem CID55273586
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine
SMILESCOCc1ccc(C(N)CN)o1
InChIInChI=1S/C8H14N2O2/c1-11-5-6-2-3-8(12-6)7(10)4-9/h2-3,7H,4-5,9-10H2,1H3
InChIKeyWJPFQRLMOHHESU-UHFFFAOYSA-N
XLogP0.38
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine?
The IUPAC name of 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine (CID 55273586) is 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine is COCc1ccc(C(N)CN)o1.
What is the InChIKey of 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine?
The InChIKey is WJPFQRLMOHHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-11-5-6-2-3-8(12-6)7(10)4-9/h2-3,7H,4-5,9-10H2,1H3.
What are the key properties of 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine?
1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine has a molecular weight of 170.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(methoxymethyl)furan-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 55273586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).