[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone

C13H16F2N2O2 — CID 81483994

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(F)cc(F)c2)CCO1
InChIInChI=1S/C13H16F2N2O2/c1-8(16)12-7-17(2-3-19-12)13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,2-3,7,16H2,1H3
InChIKeyLPNDAVQNZNIXQI-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.15
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone (PubChem CID 81483994) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
PubChem CID81483994
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2cc(F)cc(F)c2)CCO1
InChIInChI=1S/C13H16F2N2O2/c1-8(16)12-7-17(2-3-19-12)13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,2-3,7,16H2,1H3
InChIKeyLPNDAVQNZNIXQI-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
4-(3,5-difluorobenzoyl)morpholine-2-carbothioamide
CID 79675366
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
[(2S)-2-[(1S)-1-aminoethyl]morpholin-4-yl]-(2-chloro-4,5-difluorophenyl)methanone
CID 99716788
[2-(1-aminoethyl)morpholin-4-yl]-(2-bromo-5-fluorophenyl)methanone
CID 81485236
[2-(1-aminoethyl)morpholin-4-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 86780110
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 115737892
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 81484800

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone (CID 81483994) is [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone is CC(N)C1CN(C(=O)c2cc(F)cc(F)c2)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone?
The InChIKey is LPNDAVQNZNIXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-8(16)12-7-17(2-3-19-12)13(18)9-4-10(14)6-11(15)5-9/h4-6,8,12H,2-3,7,16H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone has a molecular weight of 270.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 81483994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).