4-fluoro-3-(morpholin-4-ylmethyl)aniline

C11H15FN2O — CID 86713638

IUPAC4-fluoro-3-(morpholin-4-ylmethyl)aniline
SMILESNc1ccc(F)c(CN2CCOCC2)c1
InChIInChI=1S/C11H15FN2O/c12-11-2-1-10(13)7-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
InChIKeyBSPMTVRTRVXTIM-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.24
Rot. Bonds2

About 4-fluoro-3-(morpholin-4-ylmethyl)aniline

4-fluoro-3-(morpholin-4-ylmethyl)aniline (PubChem CID 86713638) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 4-fluoro-3-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-(morpholin-4-ylmethyl)aniline
PubChem CID86713638
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name4-fluoro-3-(morpholin-4-ylmethyl)aniline
SMILESNc1ccc(F)c(CN2CCOCC2)c1
InChIInChI=1S/C11H15FN2O/c12-11-2-1-10(13)7-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
InChIKeyBSPMTVRTRVXTIM-UHFFFAOYSA-N
XLogP1.24
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine
CID 136624
4-(Morpholinomethyl)aniline
CID 776851
4-(Morpholin-4-yl)-2-(trifluoromethyl)aniline
CID 822225
(2-(Morpholin-4-yl)phenyl)methanamine
CID 2776563
4-(p-Tolyl)morpholine
CID 766255
4-Morpholinobenzylamine
CID 2776458
2-Fluoro-6-morpholinobenzonitrile
CID 654627
2-Morpholino-N-(3-(trifluoromethyl)phenyl)acetamide
CID 291811
1-((3-Aminophenyl)methyl)piperidin-4-ol
CID 20121155
3-(1-Piperidinylmethyl)aniline
CID 6484331
3-Fluoro-4-morpholinoaniline
CID 1485330
3-(Morpholin-4-yl)benzonitrile
CID 7060556

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 4-fluoro-3-(morpholin-4-ylmethyl)aniline (CID 86713638) is 4-fluoro-3-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-3-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-3-(morpholin-4-ylmethyl)aniline is Nc1ccc(F)c(CN2CCOCC2)c1.
What is the InChIKey of 4-fluoro-3-(morpholin-4-ylmethyl)aniline?
The InChIKey is BSPMTVRTRVXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c12-11-2-1-10(13)7-9(11)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2.
What are the key properties of 4-fluoro-3-(morpholin-4-ylmethyl)aniline?
4-fluoro-3-(morpholin-4-ylmethyl)aniline has a molecular weight of 210.25 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 86713638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).