4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol

C25H32N2O2 — CID 70483673

IUPAC4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol
SMILESC=CCN(CC=C)c1ccc(O)c(C)c1.C=CCN(CC=C)c1ccc(O)cc1
InChIInChI=1S/C13H17NO.C12H15NO/c1-4-8-14(9-5-2)12-6-7-13(15)11(3)10-12;1-3-9-13(10-4-2)11-5-7-12(14)8-6-11/h4-7,10,15H,1-2,8-9H2,3H3;3-8,14H,1-2,9-10H2
InChIKeyRIKODFSIBGCUJQ-UHFFFAOYSA-N
MW392.54 g/mol
LogP5.45
Rot. Bonds10

About 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol

4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol (PubChem CID 70483673) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol
PubChem CID70483673
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol
SMILESC=CCN(CC=C)c1ccc(O)c(C)c1.C=CCN(CC=C)c1ccc(O)cc1
InChIInChI=1S/C13H17NO.C12H15NO/c1-4-8-14(9-5-2)12-6-7-13(15)11(3)10-12;1-3-9-13(10-4-2)11-5-7-12(14)8-6-11/h4-7,10,15H,1-2,8-9H2,3H3;3-8,14H,1-2,9-10H2
InChIKeyRIKODFSIBGCUJQ-UHFFFAOYSA-N
XLogP5.45
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol?
The IUPAC name of 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol (CID 70483673) is 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol.
What is the SMILES notation for 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol?
The canonical SMILES for 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol is C=CCN(CC=C)c1ccc(O)c(C)c1.C=CCN(CC=C)c1ccc(O)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol?
The InChIKey is RIKODFSIBGCUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H15NO/c1-4-8-14(9-5-2)12-6-7-13(15)11(3)10-12;1-3-9-13(10-4-2)11-5-7-12(14)8-6-11/h4-7,10,15H,1-2,8-9H2,3H3;3-8,14H,1-2,9-10H2.
What are the key properties of 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol?
4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol has a molecular weight of 392.54 g/mol, XLogP of 5.45, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)amino]-2-methylphenol;4-[bis(prop-2-enyl)amino]phenol is sourced from PubChem (CID 70483673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).