2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol

C17H19NO — CID 70317001

IUPAC2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol
SMILESC=CCN(Cc1cccc(C)c1O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-12-18(16-10-5-4-6-11-16)13-15-9-7-8-14(2)17(15)19/h3-11,19H,1,12-13H2,2H3
InChIKeyXIRVXCLFUPFFNP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.89
Rot. Bonds5

About 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol

2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol (PubChem CID 70317001) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol.

Molecular Properties

Compound Name2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol
PubChem CID70317001
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol
SMILESC=CCN(Cc1cccc(C)c1O)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-12-18(16-10-5-4-6-11-16)13-15-9-7-8-14(2)17(15)19/h3-11,19H,1,12-13H2,2H3
InChIKeyXIRVXCLFUPFFNP-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol?
The IUPAC name of 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol (CID 70317001) is 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol.
What is the SMILES notation for 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol?
The canonical SMILES for 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol is C=CCN(Cc1cccc(C)c1O)c1ccccc1.
What is the InChIKey of 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol?
The InChIKey is XIRVXCLFUPFFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-12-18(16-10-5-4-6-11-16)13-15-9-7-8-14(2)17(15)19/h3-11,19H,1,12-13H2,2H3.
What are the key properties of 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol?
2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol has a molecular weight of 253.35 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(N-prop-2-enylanilino)methyl]phenol is sourced from PubChem (CID 70317001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).