2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C17H24Cl2N2O2 — CID 78786388

IUPAC2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N(C)Cc2ccc(Cl)c(Cl)c2)CC(C)O1
InChIInChI=1S/C17H24Cl2N2O2/c1-11-8-21(9-12(2)23-11)17(22)13(3)20(4)10-14-5-6-15(18)16(19)7-14/h5-7,11-13H,8-10H2,1-4H3
InChIKeyCDYJWUJBUFZMHP-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.45
Rot. Bonds4

About 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 78786388) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID78786388
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N(C)Cc2ccc(Cl)c(Cl)c2)CC(C)O1
InChIInChI=1S/C17H24Cl2N2O2/c1-11-8-21(9-12(2)23-11)17(22)13(3)20(4)10-14-5-6-15(18)16(19)7-14/h5-7,11-13H,8-10H2,1-4H3
InChIKeyCDYJWUJBUFZMHP-UHFFFAOYSA-N
XLogP3.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 78786388) is 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)N(C)Cc2ccc(Cl)c(Cl)c2)CC(C)O1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is CDYJWUJBUFZMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-11-8-21(9-12(2)23-11)17(22)13(3)20(4)10-14-5-6-15(18)16(19)7-14/h5-7,11-13H,8-10H2,1-4H3.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 359.30 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl-methylamino]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 78786388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).