1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone

C17H26N2O2 — CID 104613073

IUPAC1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone
SMILESCCC1(CC)CC(Nc2ccc(N)c(C(C)=O)c2)CCO1
InChIInChI=1S/C17H26N2O2/c1-4-17(5-2)11-14(8-9-21-17)19-13-6-7-16(18)15(10-13)12(3)20/h6-7,10,14,19H,4-5,8-9,11,18H2,1-3H3
InChIKeyFULRVHYMFXJMQD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.62
Rot. Bonds5

About 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone

1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone (PubChem CID 104613073) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone
PubChem CID104613073
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone
SMILESCCC1(CC)CC(Nc2ccc(N)c(C(C)=O)c2)CCO1
InChIInChI=1S/C17H26N2O2/c1-4-17(5-2)11-14(8-9-21-17)19-13-6-7-16(18)15(10-13)12(3)20/h6-7,10,14,19H,4-5,8-9,11,18H2,1-3H3
InChIKeyFULRVHYMFXJMQD-UHFFFAOYSA-N
XLogP3.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
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-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone (CID 104613073) is 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone is CCC1(CC)CC(Nc2ccc(N)c(C(C)=O)c2)CCO1.
What is the InChIKey of 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone?
The InChIKey is FULRVHYMFXJMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-17(5-2)11-14(8-9-21-17)19-13-6-7-16(18)15(10-13)12(3)20/h6-7,10,14,19H,4-5,8-9,11,18H2,1-3H3.
What are the key properties of 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone?
1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-[(2,2-diethyloxan-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 104613073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).