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

C15H22F2N2O — CID 54765508

IUPAC3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C15H22F2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)13-4-3-12(16)11-14(13)17/h3-4,11,15H,5-10H2,1-2H3
InChIKeyONLLHTKWUBCLOO-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.29
Rot. Bonds5

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

3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54765508) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54765508
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(F)cc1F)N1CCOCC1
InChIInChI=1S/C15H22F2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)13-4-3-12(16)11-14(13)17/h3-4,11,15H,5-10H2,1-2H3
InChIKeyONLLHTKWUBCLOO-UHFFFAOYSA-N
XLogP2.29
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine (CID 54765508) is 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine is CN(C)CCC(c1ccc(F)cc1F)N1CCOCC1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is ONLLHTKWUBCLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-18(2)6-5-15(19-7-9-20-10-8-19)13-4-3-12(16)11-14(13)17/h3-4,11,15H,5-10H2,1-2H3.
What are the key properties of 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine?
3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 284.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N,N-dimethyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54765508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).