N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine

C20H27N3O — CID 59499292

IUPACN-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine
SMILESc1ccc(C(CCNCCN2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C20H27N3O/c1-2-5-18(6-3-1)20(19-7-4-9-22-17-19)8-10-21-11-12-23-13-15-24-16-14-23/h1-7,9,17,20-21H,8,10-16H2
InChIKeyOKMITRVZYYUZOW-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.53
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine

N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 59499292) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine
PubChem CID59499292
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine
SMILESc1ccc(C(CCNCCN2CCOCC2)c2cccnc2)cc1
InChIInChI=1S/C20H27N3O/c1-2-5-18(6-3-1)20(19-7-4-9-22-17-19)8-10-21-11-12-23-13-15-24-16-14-23/h1-7,9,17,20-21H,8,10-16H2
InChIKeyOKMITRVZYYUZOW-UHFFFAOYSA-N
XLogP2.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine (CID 59499292) is N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine is c1ccc(C(CCNCCN2CCOCC2)c2cccnc2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is OKMITRVZYYUZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-2-5-18(6-3-1)20(19-7-4-9-22-17-19)8-10-21-11-12-23-13-15-24-16-14-23/h1-7,9,17,20-21H,8,10-16H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine?
N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 325.46 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-phenyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 59499292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).