N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine

C21H28N2O — CID 3043814

IUPACN-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine
SMILESc1ccc(CC(NCCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-3-8-19(9-4-1)18-21(20-10-5-2-6-11-20)22-12-7-13-23-14-16-24-17-15-23/h1-6,8-11,21-22H,7,12-18H2
InChIKeyCZTJWRVPACNWER-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.28
Rot. Bonds8

About N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine

N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine (PubChem CID 3043814) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine
PubChem CID3043814
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine
SMILESc1ccc(CC(NCCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O/c1-3-8-19(9-4-1)18-21(20-10-5-2-6-11-20)22-12-7-13-23-14-16-24-17-15-23/h1-6,8-11,21-22H,7,12-18H2
InChIKeyCZTJWRVPACNWER-UHFFFAOYSA-N
XLogP3.28
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine (CID 3043814) is N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine is c1ccc(CC(NCCCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine?
The InChIKey is CZTJWRVPACNWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-3-8-19(9-4-1)18-21(20-10-5-2-6-11-20)22-12-7-13-23-14-16-24-17-15-23/h1-6,8-11,21-22H,7,12-18H2.
What are the key properties of N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine?
N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine has a molecular weight of 324.47 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diphenylethyl)-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 3043814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).