1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine

C14H19Cl2FN2O — CID 43545084

IUPAC1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCC(NCCN1CCOCC1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H19Cl2FN2O/c1-10(13-11(15)2-3-12(17)14(13)16)18-4-5-19-6-8-20-9-7-19/h2-3,10,18H,4-9H2,1H3
InChIKeySFGNMWAHUORKKN-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.12
Rot. Bonds5

About 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine

1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine (PubChem CID 43545084) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine.

Molecular Properties

Compound Name1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
PubChem CID43545084
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC Name1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
SMILESCC(NCCN1CCOCC1)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C14H19Cl2FN2O/c1-10(13-11(15)2-3-12(17)14(13)16)18-4-5-19-6-8-20-9-7-19/h2-3,10,18H,4-9H2,1H3
InChIKeySFGNMWAHUORKKN-UHFFFAOYSA-N
XLogP3.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,4-dichlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43079142
1-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178907
N-[1-(2,6-difluorophenyl)ethyl]-3-morpholin-4-ylpropan-1-amine
CID 43204967
1-(2,4-difluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178928
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methylsulfinylpropan-1-amine
CID 113261722
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115894601
1-(5-fluoro-2-pyridinyl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 83117663
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 43195497
3-morpholin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43205019
1-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)ethanamine
CID 43178917
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
3-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]-N,N-diethylpropanamide
CID 60925290

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine?
The IUPAC name of 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine (CID 43545084) is 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine.
What is the SMILES notation for 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine?
The canonical SMILES for 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine is CC(NCCN1CCOCC1)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine?
The InChIKey is SFGNMWAHUORKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2FN2O/c1-10(13-11(15)2-3-12(17)14(13)16)18-4-5-19-6-8-20-9-7-19/h2-3,10,18H,4-9H2,1H3.
What are the key properties of 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine?
1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine has a molecular weight of 321.22 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-3-fluorophenyl)-N-(2-morpholin-4-ylethyl)ethanamine is sourced from PubChem (CID 43545084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).