3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile

C14H18N2O3 — CID 22685973

IUPAC3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
SMILESCOc1cccc(C#N)c1OCCN1CCOCC1
InChIInChI=1S/C14H18N2O3/c1-17-13-4-2-3-12(11-15)14(13)19-10-7-16-5-8-18-9-6-16/h2-4H,5-10H2,1H3
InChIKeySJLTWVQQKPEIMB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.28
Rot. Bonds5

About 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile

3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile (PubChem CID 22685973) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile.

Molecular Properties

Compound Name3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
PubChem CID22685973
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
SMILESCOc1cccc(C#N)c1OCCN1CCOCC1
InChIInChI=1S/C14H18N2O3/c1-17-13-4-2-3-12(11-15)14(13)19-10-7-16-5-8-18-9-6-16/h2-4H,5-10H2,1H3
InChIKeySJLTWVQQKPEIMB-UHFFFAOYSA-N
XLogP1.28
TPSA54.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-(2-pyrrolidin-1-ylethoxy)benzonitrile
CID 22684728
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394695
2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 174668290
2-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]guanidine
CID 168592427
N-[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]aniline
CID 169383017
4-[2-(2,3-dimethoxy-6-propan-2-ylphenoxy)ethyl]morpholine
CID 20871911
2-[3-(dimethylamino)propoxy]-3-methoxybenzonitrile
CID 20992354
4-[2-[2-methoxy-6-[(4-methoxy-3-methylphenyl)methyl]phenoxy]ethyl]morpholine
CID 137342586
3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
CID 107107531
2-[3-(1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62989022
[[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]thiourea
CID 168535434

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile?
The IUPAC name of 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile (CID 22685973) is 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile.
What is the SMILES notation for 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile?
The canonical SMILES for 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile is COc1cccc(C#N)c1OCCN1CCOCC1.
What is the InChIKey of 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile?
The InChIKey is SJLTWVQQKPEIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-17-13-4-2-3-12(11-15)14(13)19-10-7-16-5-8-18-9-6-16/h2-4H,5-10H2,1H3.
What are the key properties of 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile?
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile has a molecular weight of 262.31 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile is sourced from PubChem (CID 22685973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).