2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine

C14H18N2O2 — CID 63672007

IUPAC2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine
SMILESCOc1cc(N(C)Cc2ccoc2C)ccc1N
InChIInChI=1S/C14H18N2O2/c1-10-11(6-7-18-10)9-16(2)12-4-5-13(15)14(8-12)17-3/h4-8H,9,15H2,1-3H3
InChIKeyTUHPHWWJAXFFJI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.82
Rot. Bonds4

About 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine

2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine (PubChem CID 63672007) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine
PubChem CID63672007
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine
SMILESCOc1cc(N(C)Cc2ccoc2C)ccc1N
InChIInChI=1S/C14H18N2O2/c1-10-11(6-7-18-10)9-16(2)12-4-5-13(15)14(8-12)17-3/h4-8H,9,15H2,1-3H3
InChIKeyTUHPHWWJAXFFJI-UHFFFAOYSA-N
XLogP2.82
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.82
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

4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 104782708
4-amino-3-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 81441145
2-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-diamine
CID 63879607
2-chloro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzaldehyde
CID 114064075
2-(aminomethyl)-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]aniline
CID 81300114
5-ethoxy-3-N-methyl-3-N-[(2-methylfuran-3-yl)methyl]benzene-1,3-diamine
CID 80730662
2-amino-5-methoxy-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzamide
CID 61426558
4-(aminomethyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]-3-(trifluoromethyl)aniline
CID 61426224
3-amino-5-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzenesulfonamide
CID 61426387
2-chloro-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]benzenecarbothioamide
CID 55154521
2-amino-5-[(2-methoxyphenyl)methyl-methylamino]benzonitrile
CID 115499202
6-(1-aminopropyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyridin-3-amine
CID 112584270

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine (CID 63672007) is 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine is COc1cc(N(C)Cc2ccoc2C)ccc1N.
What is the InChIKey of 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine?
The InChIKey is TUHPHWWJAXFFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-11(6-7-18-10)9-16(2)12-4-5-13(15)14(8-12)17-3/h4-8H,9,15H2,1-3H3.
What are the key properties of 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine?
2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-methyl-4-N-[(2-methylfuran-3-yl)methyl]benzene-1,4-diamine is sourced from PubChem (CID 63672007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).