4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile

C14H19N3O — CID 79674167

IUPAC4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile
SMILESCc1ccc(C(CN)N2CCOC(C#N)C2)cc1
InChIInChI=1S/C14H19N3O/c1-11-2-4-12(5-3-11)14(9-16)17-6-7-18-13(8-15)10-17/h2-5,13-14H,6-7,9-10,16H2,1H3
InChIKeyHOHNIHIDECYGCM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.22
Rot. Bonds3

About 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile

4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile (PubChem CID 79674167) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile
PubChem CID79674167
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile
SMILESCc1ccc(C(CN)N2CCOC(C#N)C2)cc1
InChIInChI=1S/C14H19N3O/c1-11-2-4-12(5-3-11)14(9-16)17-6-7-18-13(8-15)10-17/h2-5,13-14H,6-7,9-10,16H2,1H3
InChIKeyHOHNIHIDECYGCM-UHFFFAOYSA-N
XLogP1.22
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile (CID 79674167) is 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile is Cc1ccc(C(CN)N2CCOC(C#N)C2)cc1.
What is the InChIKey of 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile?
The InChIKey is HOHNIHIDECYGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11-2-4-12(5-3-11)14(9-16)17-6-7-18-13(8-15)10-17/h2-5,13-14H,6-7,9-10,16H2,1H3.
What are the key properties of 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile?
4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-1-(4-methylphenyl)ethyl]morpholine-2-carbonitrile is sourced from PubChem (CID 79674167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).