N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine

C15H20N2O2 — CID 62554647

IUPACN-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(N(C)CCNCc2ccoc2)cc1
InChIInChI=1S/C15H20N2O2/c1-17(14-3-5-15(18-2)6-4-14)9-8-16-11-13-7-10-19-12-13/h3-7,10,12,16H,8-9,11H2,1-2H3
InChIKeyLKLZIUOBZISSMH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.51
Rot. Bonds7

About N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine

N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 62554647) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID62554647
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(N(C)CCNCc2ccoc2)cc1
InChIInChI=1S/C15H20N2O2/c1-17(14-3-5-15(18-2)6-4-14)9-8-16-11-13-7-10-19-12-13/h3-7,10,12,16H,8-9,11H2,1-2H3
InChIKeyLKLZIUOBZISSMH-UHFFFAOYSA-N
XLogP2.51
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
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-(furan-3-ylmethyl)-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554753
N'-(4-methoxyphenyl)-N'-methyl-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62553661
N-(2-methoxyethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 62573488
N'-(4-methoxyphenyl)-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62554288
N'-ethyl-N'-(4-fluorophenyl)-N-(furan-3-ylmethyl)ethane-1,2-diamine
CID 55089579
N-(furan-3-ylmethyl)-3-methoxypropan-1-amine
CID 62997873
N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992
N-(furan-3-ylmethyl)-N'-(2-methoxypropyl)ethane-1,2-diamine
CID 102700858
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
N-(furan-3-ylmethyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62576103

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine (CID 62554647) is N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine is COc1ccc(N(C)CCNCc2ccoc2)cc1.
What is the InChIKey of N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is LKLZIUOBZISSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17(14-3-5-15(18-2)6-4-14)9-8-16-11-13-7-10-19-12-13/h3-7,10,12,16H,8-9,11H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 260.34 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62554647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).