1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine

C13H18Cl2N2O — CID 84752722

IUPAC1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine
SMILESCC(N)(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H18Cl2N2O/c1-13(16,17-4-6-18-7-5-17)9-10-2-3-11(14)12(15)8-10/h2-3,8H,4-7,9,16H2,1H3
InChIKeyGFOXIDQXIRPAOL-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.54
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine (PubChem CID 84752722) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine
PubChem CID84752722
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine
SMILESCC(N)(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C13H18Cl2N2O/c1-13(16,17-4-6-18-7-5-17)9-10-2-3-11(14)12(15)8-10/h2-3,8H,4-7,9,16H2,1H3
InChIKeyGFOXIDQXIRPAOL-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine (CID 84752722) is 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine is CC(N)(Cc1ccc(Cl)c(Cl)c1)N1CCOCC1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine?
The InChIKey is GFOXIDQXIRPAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-13(16,17-4-6-18-7-5-17)9-10-2-3-11(14)12(15)8-10/h2-3,8H,4-7,9,16H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine?
1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine has a molecular weight of 289.21 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 84752722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).