3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline

C12H17FN2O — CID 164584014

IUPAC3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
SMILESCc1c(F)cc(N)cc1CN1CCOCC1
InChIInChI=1S/C12H17FN2O/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15/h6-7H,2-5,8,14H2,1H3
InChIKeyFOEXECZTUZTJLV-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.55
Rot. Bonds2

About 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline

3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline (PubChem CID 164584014) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
PubChem CID164584014
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline
SMILESCc1c(F)cc(N)cc1CN1CCOCC1
InChIInChI=1S/C12H17FN2O/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15/h6-7H,2-5,8,14H2,1H3
InChIKeyFOEXECZTUZTJLV-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline?
The IUPAC name of 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline (CID 164584014) is 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline is Cc1c(F)cc(N)cc1CN1CCOCC1.
What is the InChIKey of 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline?
The InChIKey is FOEXECZTUZTJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-10(6-11(14)7-12(9)13)8-15-2-4-16-5-3-15/h6-7H,2-5,8,14H2,1H3.
What are the key properties of 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline?
3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline has a molecular weight of 224.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-5-(morpholin-4-ylmethyl)aniline is sourced from PubChem (CID 164584014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).