ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline

C19H26N2O — CID 171094576

IUPACethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline
SMILESC=CN(C)c1ccc(Oc2ccc(N)cc2C)cc1C.CC
InChIInChI=1S/C17H20N2O.C2H6/c1-5-19(4)16-8-7-15(11-12(16)2)20-17-9-6-14(18)10-13(17)3;1-2/h5-11H,1,18H2,2-4H3;1-2H3
InChIKeyCUGHXIFLTZQENR-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.28
Rot. Bonds4

About ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline

ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline (PubChem CID 171094576) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline.

Molecular Properties

Compound Nameethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline
PubChem CID171094576
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Nameethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline
SMILESC=CN(C)c1ccc(Oc2ccc(N)cc2C)cc1C.CC
InChIInChI=1S/C17H20N2O.C2H6/c1-5-19(4)16-8-7-15(11-12(16)2)20-17-9-6-14(18)10-13(17)3;1-2/h5-11H,1,18H2,2-4H3;1-2H3
InChIKeyCUGHXIFLTZQENR-UHFFFAOYSA-N
XLogP5.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline?
The IUPAC name of ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline (CID 171094576) is ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline.
What is the SMILES notation for ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline?
The canonical SMILES for ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline is C=CN(C)c1ccc(Oc2ccc(N)cc2C)cc1C.CC.
What is the InChIKey of ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline?
The InChIKey is CUGHXIFLTZQENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C2H6/c1-5-19(4)16-8-7-15(11-12(16)2)20-17-9-6-14(18)10-13(17)3;1-2/h5-11H,1,18H2,2-4H3;1-2H3.
What are the key properties of ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline?
ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline has a molecular weight of 298.43 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-[ethenyl(methyl)amino]-3-methylphenoxy]-3-methylaniline is sourced from PubChem (CID 171094576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).