2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile

C15H22N2O3 — CID 65336445

IUPAC2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile
SMILESCOCCOCCCNCc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H22N2O3/c1-18-8-9-20-7-3-6-17-12-13-4-5-15(19-2)14(10-13)11-16/h4-5,10,17H,3,6-9,12H2,1-2H3
InChIKeyVXQNGVYFSPBAEC-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds10

About 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile

2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile (PubChem CID 65336445) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile
PubChem CID65336445
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile
SMILESCOCCOCCCNCc1ccc(OC)c(C#N)c1
InChIInChI=1S/C15H22N2O3/c1-18-8-9-20-7-3-6-17-12-13-4-5-15(19-2)14(10-13)11-16/h4-5,10,17H,3,6-9,12H2,1-2H3
InChIKeyVXQNGVYFSPBAEC-UHFFFAOYSA-N
XLogP1.71
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[3-(2-methoxyethoxy)propoxymethyl]benzonitrile
CID 103402474
2-methoxy-5-[(pent-4-ynylamino)methyl]benzonitrile
CID 103701664
5-[(4-hydroxybutylamino)methyl]-2-methoxybenzonitrile
CID 106840557
5-[[2-(cyclopropylmethoxy)ethylamino]methyl]-2-methoxybenzonitrile
CID 103699306
2-methoxy-5-[[2-(3-methylbutoxy)ethylamino]methyl]benzonitrile
CID 65340715
2-methoxy-5-[(4-methylsulfanylbutylamino)methyl]benzonitrile
CID 113243220
2-methoxy-5-[(3-phenylpropylamino)methyl]benzonitrile
CID 65336201
5-[(4-hydroxypentylamino)methyl]-2-methoxybenzonitrile
CID 107267897
2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115651742
5-[[2-(dimethylamino)ethylamino]methyl]-2-methoxybenzonitrile
CID 65336385
3-[(3-cyano-4-methoxyphenyl)methylamino]propanamide
CID 65335970
2-methoxy-5-[(2-phenylsulfanylethylamino)methyl]benzonitrile
CID 65340709

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile?
The IUPAC name of 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile (CID 65336445) is 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile?
The canonical SMILES for 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile is COCCOCCCNCc1ccc(OC)c(C#N)c1.
What is the InChIKey of 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile?
The InChIKey is VXQNGVYFSPBAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-18-8-9-20-7-3-6-17-12-13-4-5-15(19-2)14(10-13)11-16/h4-5,10,17H,3,6-9,12H2,1-2H3.
What are the key properties of 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile?
2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile has a molecular weight of 278.35 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile is sourced from PubChem (CID 65336445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).