2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde

C16H17NO2 — CID 143189743

IUPAC2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde
SMILESCNc1cc(C)ccc1Oc1cccc(C)c1C=O
InChIInChI=1S/C16H17NO2/c1-11-7-8-16(14(9-11)17-3)19-15-6-4-5-12(2)13(15)10-18/h4-10,17H,1-3H3
InChIKeyVRRPOJPSHVCXSI-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.95
Rot. Bonds4

About 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde

2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde (PubChem CID 143189743) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde.

Molecular Properties

Compound Name2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde
PubChem CID143189743
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde
SMILESCNc1cc(C)ccc1Oc1cccc(C)c1C=O
InChIInChI=1S/C16H17NO2/c1-11-7-8-16(14(9-11)17-3)19-15-6-4-5-12(2)13(15)10-18/h4-10,17H,1-3H3
InChIKeyVRRPOJPSHVCXSI-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde?
The IUPAC name of 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde (CID 143189743) is 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde.
What is the SMILES notation for 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde?
The canonical SMILES for 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde is CNc1cc(C)ccc1Oc1cccc(C)c1C=O.
What is the InChIKey of 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde?
The InChIKey is VRRPOJPSHVCXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-7-8-16(14(9-11)17-3)19-15-6-4-5-12(2)13(15)10-18/h4-10,17H,1-3H3.
What are the key properties of 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde?
2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde has a molecular weight of 255.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-methyl-2-(methylamino)phenoxy]benzaldehyde is sourced from PubChem (CID 143189743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).