3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde

C17H19FN2O3 — CID 175213091

IUPAC3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde
SMILESNc1ccc(C2CNCCO2)c(F)c1.O=Cc1ccccc1O
InChIInChI=1S/C10H13FN2O.C7H6O2/c11-9-5-7(12)1-2-8(9)10-6-13-3-4-14-10;8-5-6-3-1-2-4-7(6)9/h1-2,5,10,13H,3-4,6,12H2;1-5,9H
InChIKeyVMXTXZNXQFYASF-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.27
Rot. Bonds2

About 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde

3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde (PubChem CID 175213091) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde
PubChem CID175213091
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde
SMILESNc1ccc(C2CNCCO2)c(F)c1.O=Cc1ccccc1O
InChIInChI=1S/C10H13FN2O.C7H6O2/c11-9-5-7(12)1-2-8(9)10-6-13-3-4-14-10;8-5-6-3-1-2-4-7(6)9/h1-2,5,10,13H,3-4,6,12H2;1-5,9H
InChIKeyVMXTXZNXQFYASF-UHFFFAOYSA-N
XLogP2.27
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
(3-fluoro-4-morpholin-2-ylphenyl)boronic acid
CID 175210838
2,5-difluoro-4-morpholin-2-ylphenol
CID 117306323
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
2-chloro-3-fluoro-4-morpholin-2-ylphenol
CID 117335357
3-morpholin-2-yl-2-nitrosophenol
CID 174751640
2-fluoro-4-methyl-5-morpholin-2-ylphenol
CID 84781573
2,3-dimethoxy-4-morpholin-2-ylbenzaldehyde
CID 117380901
2-(2-bromo-4-fluorophenyl)morpholine
CID 83734450
3-bromo-4-morpholin-2-ylphenol
CID 82623544
2-morpholin-2-yl-5-phenylaniline
CID 175280978

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde?
The IUPAC name of 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde (CID 175213091) is 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde.
What is the SMILES notation for 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde?
The canonical SMILES for 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde is Nc1ccc(C2CNCCO2)c(F)c1.O=Cc1ccccc1O.
What is the InChIKey of 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde?
The InChIKey is VMXTXZNXQFYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O.C7H6O2/c11-9-5-7(12)1-2-8(9)10-6-13-3-4-14-10;8-5-6-3-1-2-4-7(6)9/h1-2,5,10,13H,3-4,6,12H2;1-5,9H.
What are the key properties of 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde?
3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde has a molecular weight of 318.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-morpholin-2-ylaniline;2-hydroxybenzaldehyde is sourced from PubChem (CID 175213091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).