N-benzhydryl-3-morpholin-4-ylpropan-1-amine

C20H26N2O — CID 3043813

IUPACN-benzhydryl-3-morpholin-4-ylpropan-1-amine
SMILESc1ccc(C(NCCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)21-12-7-13-22-14-16-23-17-15-22/h1-6,8-11,20-21H,7,12-17H2
InChIKeyAQUQABAOEOGJQK-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.09
Rot. Bonds7

About N-benzhydryl-3-morpholin-4-ylpropan-1-amine

N-benzhydryl-3-morpholin-4-ylpropan-1-amine (PubChem CID 3043813) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-benzhydryl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-benzhydryl-3-morpholin-4-ylpropan-1-amine
PubChem CID3043813
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-benzhydryl-3-morpholin-4-ylpropan-1-amine
SMILESc1ccc(C(NCCCN2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C20H26N2O/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)21-12-7-13-22-14-16-23-17-15-22/h1-6,8-11,20-21H,7,12-17H2
InChIKeyAQUQABAOEOGJQK-UHFFFAOYSA-N
XLogP3.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.09
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-benzhydryl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-benzhydryl-3-morpholin-4-ylpropan-1-amine (CID 3043813) is N-benzhydryl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-benzhydryl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-benzhydryl-3-morpholin-4-ylpropan-1-amine is c1ccc(C(NCCCN2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of N-benzhydryl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is AQUQABAOEOGJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-3-8-18(9-4-1)20(19-10-5-2-6-11-19)21-12-7-13-22-14-16-23-17-15-22/h1-6,8-11,20-21H,7,12-17H2.
What are the key properties of N-benzhydryl-3-morpholin-4-ylpropan-1-amine?
N-benzhydryl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 310.44 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 3043813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).