4-methoxy-N,N-bis(2-methylpropyl)aniline

C15H25NO — CID 3486262

IUPAC4-methoxy-N,N-bis(2-methylpropyl)aniline
SMILESCOc1ccc(N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)10-16(11-13(3)4)14-6-8-15(17-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3
InChIKeyLEWUERBZYJDAME-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.81
Rot. Bonds6

About 4-methoxy-N,N-bis(2-methylpropyl)aniline

4-methoxy-N,N-bis(2-methylpropyl)aniline (PubChem CID 3486262) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methoxy-N,N-bis(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-methoxy-N,N-bis(2-methylpropyl)aniline
PubChem CID3486262
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methoxy-N,N-bis(2-methylpropyl)aniline
SMILESCOc1ccc(N(CC(C)C)CC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-12(2)10-16(11-13(3)4)14-6-8-15(17-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3
InChIKeyLEWUERBZYJDAME-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-bis(2-methylpropyl)aniline?
The IUPAC name of 4-methoxy-N,N-bis(2-methylpropyl)aniline (CID 3486262) is 4-methoxy-N,N-bis(2-methylpropyl)aniline.
What is the SMILES notation for 4-methoxy-N,N-bis(2-methylpropyl)aniline?
The canonical SMILES for 4-methoxy-N,N-bis(2-methylpropyl)aniline is COc1ccc(N(CC(C)C)CC(C)C)cc1.
What is the InChIKey of 4-methoxy-N,N-bis(2-methylpropyl)aniline?
The InChIKey is LEWUERBZYJDAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)10-16(11-13(3)4)14-6-8-15(17-5)9-7-14/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 4-methoxy-N,N-bis(2-methylpropyl)aniline?
4-methoxy-N,N-bis(2-methylpropyl)aniline has a molecular weight of 235.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-bis(2-methylpropyl)aniline is sourced from PubChem (CID 3486262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).