N-cyclobutyl-2-methyl-4-propoxyaniline

C14H21NO — CID 115884959

IUPACN-cyclobutyl-2-methyl-4-propoxyaniline
SMILESCCCOc1ccc(NC2CCC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-3-9-16-13-7-8-14(11(2)10-13)15-12-5-4-6-12/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyNZVGSVGFVKQLSR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.75
Rot. Bonds5

About N-cyclobutyl-2-methyl-4-propoxyaniline

N-cyclobutyl-2-methyl-4-propoxyaniline (PubChem CID 115884959) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cyclobutyl-2-methyl-4-propoxyaniline.

Molecular Properties

Compound NameN-cyclobutyl-2-methyl-4-propoxyaniline
PubChem CID115884959
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-cyclobutyl-2-methyl-4-propoxyaniline
SMILESCCCOc1ccc(NC2CCC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-3-9-16-13-7-8-14(11(2)10-13)15-12-5-4-6-12/h7-8,10,12,15H,3-6,9H2,1-2H3
InChIKeyNZVGSVGFVKQLSR-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
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 N-cyclobutyl-2-methyl-4-propoxyaniline?
The IUPAC name of N-cyclobutyl-2-methyl-4-propoxyaniline (CID 115884959) is N-cyclobutyl-2-methyl-4-propoxyaniline.
What is the SMILES notation for N-cyclobutyl-2-methyl-4-propoxyaniline?
The canonical SMILES for N-cyclobutyl-2-methyl-4-propoxyaniline is CCCOc1ccc(NC2CCC2)c(C)c1.
What is the InChIKey of N-cyclobutyl-2-methyl-4-propoxyaniline?
The InChIKey is NZVGSVGFVKQLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-9-16-13-7-8-14(11(2)10-13)15-12-5-4-6-12/h7-8,10,12,15H,3-6,9H2,1-2H3.
What are the key properties of N-cyclobutyl-2-methyl-4-propoxyaniline?
N-cyclobutyl-2-methyl-4-propoxyaniline has a molecular weight of 219.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-methyl-4-propoxyaniline is sourced from PubChem (CID 115884959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).