2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline

C17H21NO2 — CID 68900193

IUPAC2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline
SMILESCOc1cc(OC)c(C(C)C)cc1-c1ccccc1N
InChIInChI=1S/C17H21NO2/c1-11(2)13-9-14(12-7-5-6-8-15(12)18)17(20-4)10-16(13)19-3/h5-11H,18H2,1-4H3
InChIKeyRBTJPCKRYLUPEK-UHFFFAOYSA-N
MW271.36 g/mol
LogP4.08
Rot. Bonds4

About 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline

2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline (PubChem CID 68900193) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline
PubChem CID68900193
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline
SMILESCOc1cc(OC)c(C(C)C)cc1-c1ccccc1N
InChIInChI=1S/C17H21NO2/c1-11(2)13-9-14(12-7-5-6-8-15(12)18)17(20-4)10-16(13)19-3/h5-11H,18H2,1-4H3
InChIKeyRBTJPCKRYLUPEK-UHFFFAOYSA-N
XLogP4.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 54.08
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 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline?
The IUPAC name of 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline (CID 68900193) is 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline.
What is the SMILES notation for 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline?
The canonical SMILES for 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline is COc1cc(OC)c(C(C)C)cc1-c1ccccc1N.
What is the InChIKey of 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline?
The InChIKey is RBTJPCKRYLUPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-11(2)13-9-14(12-7-5-6-8-15(12)18)17(20-4)10-16(13)19-3/h5-11H,18H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline?
2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline has a molecular weight of 271.36 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-5-propan-2-ylphenyl)aniline is sourced from PubChem (CID 68900193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).