4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol

C18H23NO2 — CID 115494162

IUPAC4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol
SMILESCOc1c(C)ccc(NC(C)Cc2ccc(O)cc2)c1C
InChIInChI=1S/C18H23NO2/c1-12-5-10-17(14(3)18(12)21-4)19-13(2)11-15-6-8-16(20)9-7-15/h5-10,13,19-20H,11H2,1-4H3
InChIKeyBEFDAZCLMZWINQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.06
Rot. Bonds5

About 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol

4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol (PubChem CID 115494162) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol.

Molecular Properties

Compound Name4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol
PubChem CID115494162
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol
SMILESCOc1c(C)ccc(NC(C)Cc2ccc(O)cc2)c1C
InChIInChI=1S/C18H23NO2/c1-12-5-10-17(14(3)18(12)21-4)19-13(2)11-15-6-8-16(20)9-7-15/h5-10,13,19-20H,11H2,1-4H3
InChIKeyBEFDAZCLMZWINQ-UHFFFAOYSA-N
XLogP4.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol?
The IUPAC name of 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol (CID 115494162) is 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol.
What is the SMILES notation for 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol?
The canonical SMILES for 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol is COc1c(C)ccc(NC(C)Cc2ccc(O)cc2)c1C.
What is the InChIKey of 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol?
The InChIKey is BEFDAZCLMZWINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-5-10-17(14(3)18(12)21-4)19-13(2)11-15-6-8-16(20)9-7-15/h5-10,13,19-20H,11H2,1-4H3.
What are the key properties of 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol?
4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxy-2,4-dimethylanilino)propyl]phenol is sourced from PubChem (CID 115494162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).