2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile

C14H19N3O2 — CID 174668290

IUPAC2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
SMILESN#Cc1cccc(OCCCN2CCOCC2)c1N
InChIInChI=1S/C14H19N3O2/c15-11-12-3-1-4-13(14(12)16)19-8-2-5-17-6-9-18-10-7-17/h1,3-4H,2,5-10,16H2
InChIKeyBAVWJYRMAGSYIF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.24
Rot. Bonds5

About 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile

2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile (PubChem CID 174668290) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile.

Molecular Properties

Compound Name2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
PubChem CID174668290
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
SMILESN#Cc1cccc(OCCCN2CCOCC2)c1N
InChIInChI=1S/C14H19N3O2/c15-11-12-3-1-4-13(14(12)16)19-8-2-5-17-6-9-18-10-7-17/h1,3-4H,2,5-10,16H2
InChIKeyBAVWJYRMAGSYIF-UHFFFAOYSA-N
XLogP1.24
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62989022
3-(2-morpholin-4-ylethoxy)benzene-1,2-diamine
CID 91269103
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile
CID 145493377
4-methoxy-2-(methylideneamino)-5-(3-morpholin-4-ylpropoxy)benzonitrile
CID 143013804
2-[3-(2-methylmorpholin-4-yl)propoxy]benzonitrile
CID 43288613
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile?
The IUPAC name of 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile (CID 174668290) is 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile.
What is the SMILES notation for 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile?
The canonical SMILES for 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile is N#Cc1cccc(OCCCN2CCOCC2)c1N.
What is the InChIKey of 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile?
The InChIKey is BAVWJYRMAGSYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-11-12-3-1-4-13(14(12)16)19-8-2-5-17-6-9-18-10-7-17/h1,3-4H,2,5-10,16H2.
What are the key properties of 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile?
2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile has a molecular weight of 261.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile is sourced from PubChem (CID 174668290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).