N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

C15H20N2O2 — CID 54805793

IUPACN'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCOc1ccc(NCCNCc2ccco2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-18-14-7-5-13(6-8-14)17-10-9-16-12-15-4-3-11-19-15/h3-8,11,16-17H,2,9-10,12H2,1H3
InChIKeyOGHUIRVELAVPHL-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.88
Rot. Bonds8

About N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine

N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (PubChem CID 54805793) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
PubChem CID54805793
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
SMILESCCOc1ccc(NCCNCc2ccco2)cc1
InChIInChI=1S/C15H20N2O2/c1-2-18-14-7-5-13(6-8-14)17-10-9-16-12-15-4-3-11-19-15/h3-8,11,16-17H,2,9-10,12H2,1H3
InChIKeyOGHUIRVELAVPHL-UHFFFAOYSA-N
XLogP2.88
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(2-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809908
4-(2-ethoxyethoxy)-N-(furan-2-ylmethyl)aniline
CID 54801101
N-(furan-2-ylmethyl)-2-[4-(2-methylbutan-2-yl)phenoxy]ethanamine
CID 54797964
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
N'-(2-butoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54810139
1-[4-(4-ethoxyphenoxy)phenyl]-3-(furan-2-ylmethyl)thiourea
CID 7944393
N'-(4-ethoxyphenyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54805879
5-N-(4-ethoxyphenyl)-3-N-(furan-2-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112947452
4-[2-(dimethylamino)ethoxy]-N-(furan-2-ylmethyl)aniline
CID 54863892
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809780

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine (CID 54805793) is N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is CCOc1ccc(NCCNCc2ccco2)cc1.
What is the InChIKey of N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is OGHUIRVELAVPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-18-14-7-5-13(6-8-14)17-10-9-16-12-15-4-3-11-19-15/h3-8,11,16-17H,2,9-10,12H2,1H3.
What are the key properties of N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine?
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 54805793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).