2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine

C13H18F2N2O — CID 115113235

IUPAC2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine
SMILESCC(CN)c1cc(F)c(F)cc1N1CCOCC1
InChIInChI=1S/C13H18F2N2O/c1-9(8-16)10-6-11(14)12(15)7-13(10)17-2-4-18-5-3-17/h6-7,9H,2-5,8,16H2,1H3
InChIKeyGUYJNCSYTHXYBB-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.86
Rot. Bonds3

About 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine

2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine (PubChem CID 115113235) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine
PubChem CID115113235
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine
SMILESCC(CN)c1cc(F)c(F)cc1N1CCOCC1
InChIInChI=1S/C13H18F2N2O/c1-9(8-16)10-6-11(14)12(15)7-13(10)17-2-4-18-5-3-17/h6-7,9H,2-5,8,16H2,1H3
InChIKeyGUYJNCSYTHXYBB-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-difluoro-2-morpholin-4-ylphenyl)ethanamine
CID 117110980
2-amino-1-(4-fluoro-2-morpholin-4-ylphenyl)ethanol
CID 117115347
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
CID 117384370
2-amino-1-(4-methyl-2-morpholin-4-ylphenyl)ethanol
CID 117115348
[1-(4,5-difluoro-2-morpholin-4-ylphenyl)cyclopentyl]methanamine
CID 117113342
2-(1-aminopropan-2-yl)-4,5-difluorobenzaldehyde
CID 117288299
3-(4-fluoro-2-morpholin-4-ylphenyl)butanal
CID 117107597
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821
4-[3-(1-bromoethyl)-2,4,5-trifluorophenyl]morpholine
CID 174668122
(1R)-3-amino-1-(2-morpholin-4-ylphenyl)propan-1-ol
CID 96818422
2-amino-1-(2-morpholin-4-ylphenyl)ethanol
CID 82617214
2-(3-fluoro-4-morpholin-4-ylphenyl)ethanamine
CID 63784903

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine?
The IUPAC name of 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine (CID 115113235) is 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine?
The canonical SMILES for 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine is CC(CN)c1cc(F)c(F)cc1N1CCOCC1.
What is the InChIKey of 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine?
The InChIKey is GUYJNCSYTHXYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-9(8-16)10-6-11(14)12(15)7-13(10)17-2-4-18-5-3-17/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine?
2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine has a molecular weight of 256.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-2-morpholin-4-ylphenyl)propan-1-amine is sourced from PubChem (CID 115113235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).