3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline

C13H19FN2O — CID 28583324

IUPAC3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(NCCN2CCOCC2)cc1F
InChIInChI=1S/C13H19FN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyJEGIATHZSOWRIT-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.88
Rot. Bonds4

About 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline

3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 28583324) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
PubChem CID28583324
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
SMILESCc1ccc(NCCN2CCOCC2)cc1F
InChIInChI=1S/C13H19FN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyJEGIATHZSOWRIT-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 28568493
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
3-bromo-4-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 39420305
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807
4-fluoro-N-(2-morpholin-4-ylethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 149330691
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
2,4,5-trimethyl-N-(2-morpholin-4-ylethyl)aniline
CID 82498851
N-(2-morpholin-4-ylethyl)-1H-indol-6-amine
CID 69376753
4-chloro-2-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 60679405
4-N-(3,4-difluorophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 112857717
1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline (CID 28583324) is 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline is Cc1ccc(NCCN2CCOCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is JEGIATHZSOWRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-11-2-3-12(10-13(11)14)15-4-5-16-6-8-17-9-7-16/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline?
3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 238.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 28583324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).