5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine

C15H20N2O2 — CID 80730662

IUPAC5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(C)Cc2ccoc2C)c1
InChIInChI=1S/C15H20N2O2/c1-4-18-15-8-13(16)7-14(9-15)17(3)10-12-5-6-19-11(12)2/h5-9H,4,10,16H2,1-3H3
InChIKeyVJBLFEFZOBZUKJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.21
Rot. Bonds5

About 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine

5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine (PubChem CID 80730662) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine
PubChem CID80730662
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(C)Cc2ccoc2C)c1
InChIInChI=1S/C15H20N2O2/c1-4-18-15-8-13(16)7-14(9-15)17(3)10-12-5-6-19-11(12)2/h5-9H,4,10,16H2,1-3H3
InChIKeyVJBLFEFZOBZUKJ-UHFFFAOYSA-N
XLogP3.21
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzenesulfonamide
CID 61426387
5-ethoxy-3-N-ethyl-3-N-methylbenzene-1,3-diamine
CID 80722151
2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine
CID 63672007
5-amino-3-chloro-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzoic acid
CID 107194590
5-ethoxy-3-N-ethyl-3-N-(furan-2-ylmethyl)benzene-1,3-diamine
CID 80730860
6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
CID 112584270
3-N-[(2-bromophenyl)methyl]-3-N-methyl-5-propoxybenzene-1,3-diamine
CID 80725040
5-ethoxy-3-N-(4-methoxyphenyl)-3-N-methylbenzene-1,3-diamine
CID 80739210
5-ethoxy-3-N-methyl-3-N-(2-propan-2-yloxyethyl)benzene-1,3-diamine
CID 81059783
5-ethoxy-3-N-ethyl-3-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 80725020
3,5-diethoxyaniline
CID 22605063
2-(3-aminophenoxy)-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 61426808

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine (CID 80730662) is 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine is CCOc1cc(N)cc(N(C)Cc2ccoc2C)c1.
What is the InChIKey of 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine?
The InChIKey is VJBLFEFZOBZUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-18-15-8-13(16)7-14(9-15)17(3)10-12-5-6-19-11(12)2/h5-9H,4,10,16H2,1-3H3.
What are the key properties of 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine?
5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine has a molecular weight of 260.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine is sourced from PubChem (CID 80730662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).