2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile

C17H24N2O2 — CID 83036670

IUPAC2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile
SMILESCCC1(CC)CC(Nc2cc(OC)ccc2C#N)CCO1
InChIInChI=1S/C17H24N2O2/c1-4-17(5-2)11-14(8-9-21-17)19-16-10-15(20-3)7-6-13(16)12-18/h6-7,10,14,19H,4-5,8-9,11H2,1-3H3
InChIKeyXSEQNJPULLAOAN-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.72
Rot. Bonds5

About 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile

2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile (PubChem CID 83036670) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile
PubChem CID83036670
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile
SMILESCCC1(CC)CC(Nc2cc(OC)ccc2C#N)CCO1
InChIInChI=1S/C17H24N2O2/c1-4-17(5-2)11-14(8-9-21-17)19-16-10-15(20-3)7-6-13(16)12-18/h6-7,10,14,19H,4-5,8-9,11H2,1-3H3
InChIKeyXSEQNJPULLAOAN-UHFFFAOYSA-N
XLogP3.72
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(2,2-diethyloxan-4-yl)amino]benzonitrile
CID 114902117
2-amino-4-[(2,2-diethyloxan-4-yl)amino]benzonitrile
CID 83027822
1-N-(2,2-diethyloxan-4-yl)-4-nitrobenzene-1,2-diamine
CID 83035182
2-[(1,1-dioxothian-4-yl)amino]-4-methoxybenzonitrile
CID 81298951
2-[(2,2-diethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545041
N-(5-methoxy-2-nitrophenyl)-2,2-dimethyloxan-4-amine
CID 115563832
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
4-bromo-2-N-(2,2-diethyloxan-4-yl)benzene-1,2-diamine
CID 83027025
3-[(2,2-diethyloxan-4-yl)amino]pyrazine-2-carbonitrile
CID 82760298
1-N-(2,2-diethyloxan-4-yl)-4-iodobenzene-1,2-diamine
CID 83027430
2-(3,4-dihydro-2H-chromen-4-ylamino)-4-methoxybenzonitrile
CID 81296353
1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine
CID 83027186

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile (CID 83036670) is 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile is CCC1(CC)CC(Nc2cc(OC)ccc2C#N)CCO1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile?
The InChIKey is XSEQNJPULLAOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-17(5-2)11-14(8-9-21-17)19-16-10-15(20-3)7-6-13(16)12-18/h6-7,10,14,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile?
2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile has a molecular weight of 288.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]-4-methoxybenzonitrile is sourced from PubChem (CID 83036670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).