N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine

C15H22F2N2O — CID 43204967

IUPACN-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(NCCCN1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C15H22F2N2O/c1-12(15-13(16)4-2-5-14(15)17)18-6-3-7-19-8-10-20-11-9-19/h2,4-5,12,18H,3,6-11H2,1H3
InChIKeyYLBKPYBYNSXYSE-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.34
Rot. Bonds6

About N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine

N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 43204967) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID43204967
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
SMILESCC(NCCCN1CCOCC1)c1c(F)cccc1F
InChIInChI=1S/C15H22F2N2O/c1-12(15-13(16)4-2-5-14(15)17)18-6-3-7-19-8-10-20-11-9-19/h2,4-5,12,18H,3,6-11H2,1H3
InChIKeyYLBKPYBYNSXYSE-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.34
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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Related Compounds

N-[1-(2,6-difluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43203849
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
N-[1-(5-methylfuran-2-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204980
N-[1-(4-bromophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204957
1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43545084
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpropan-1-amine
CID 43769529
3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbutan-1-amine
CID 43204989
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 82773805
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113411965
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 103775397

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine (CID 43204967) is N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine is CC(NCCCN1CCOCC1)c1c(F)cccc1F.
What is the InChIKey of N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is YLBKPYBYNSXYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-12(15-13(16)4-2-5-14(15)17)18-6-3-7-19-8-10-20-11-9-19/h2,4-5,12,18H,3,6-11H2,1H3.
What are the key properties of N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine?
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 284.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43204967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).