2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile

C15H21N3O2 — CID 106786936

IUPAC2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
SMILESCOc1cc(CNCCN2CCOCC2)ccc1C#N
InChIInChI=1S/C15H21N3O2/c1-19-15-10-13(2-3-14(15)11-16)12-17-4-5-18-6-8-20-9-7-18/h2-3,10,17H,4-9,12H2,1H3
InChIKeyDGSGZXQZUNAKDM-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.99
Rot. Bonds6

About 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile

2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile (PubChem CID 106786936) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
PubChem CID106786936
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
SMILESCOc1cc(CNCCN2CCOCC2)ccc1C#N
InChIInChI=1S/C15H21N3O2/c1-19-15-10-13(2-3-14(15)11-16)12-17-4-5-18-6-8-20-9-7-18/h2-3,10,17H,4-9,12H2,1H3
InChIKeyDGSGZXQZUNAKDM-UHFFFAOYSA-N
XLogP0.99
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.99
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-4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 106787055
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294256
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
2-methoxy-4-[(2-methylsulfanylethylamino)methyl]benzonitrile
CID 106787515
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 4719784
2-methoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzonitrile
CID 106787213
2-methoxy-4-[(3-methylsulfinylpropylamino)methyl]benzonitrile
CID 106787863
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 2400156
2-methoxy-4-[(3-methylsulfanylpropylamino)methyl]benzonitrile
CID 106787518
4-[[(4-cyanophenyl)methylamino]methyl]-2-methoxybenzonitrile
CID 106787146

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile (CID 106786936) is 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile is COc1cc(CNCCN2CCOCC2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile?
The InChIKey is DGSGZXQZUNAKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-15-10-13(2-3-14(15)11-16)12-17-4-5-18-6-8-20-9-7-18/h2-3,10,17H,4-9,12H2,1H3.
What are the key properties of 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile?
2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile has a molecular weight of 275.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile is sourced from PubChem (CID 106786936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).