1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone

C15H24N2O2 — CID 104528628

IUPAC1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
SMILESCCC(C)N(CCOC)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-5-11(2)17(8-9-19-4)13-6-7-14(12(3)18)15(16)10-13/h6-7,10-11H,5,8-9,16H2,1-4H3
InChIKeyFZHIKYYBPCEDAV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.72
Rot. Bonds7

About 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone

1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone (PubChem CID 104528628) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
PubChem CID104528628
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone
SMILESCCC(C)N(CCOC)c1ccc(C(C)=O)c(N)c1
InChIInChI=1S/C15H24N2O2/c1-5-11(2)17(8-9-19-4)13-6-7-14(12(3)18)15(16)10-13/h6-7,10-11H,5,8-9,16H2,1-4H3
InChIKeyFZHIKYYBPCEDAV-UHFFFAOYSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone (CID 104528628) is 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone is CCC(C)N(CCOC)c1ccc(C(C)=O)c(N)c1.
What is the InChIKey of 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone?
The InChIKey is FZHIKYYBPCEDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-11(2)17(8-9-19-4)13-6-7-14(12(3)18)15(16)10-13/h6-7,10-11H,5,8-9,16H2,1-4H3.
What are the key properties of 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone?
1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[butan-2-yl(2-methoxyethyl)amino]phenyl]ethanone is sourced from PubChem (CID 104528628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).