2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline

C13H19FN2O — CID 63330879

IUPAC2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
SMILESCCC1CN(Cc2c(N)cccc2F)CCO1
InChIInChI=1S/C13H19FN2O/c1-2-10-8-16(6-7-17-10)9-11-12(14)4-3-5-13(11)15/h3-5,10H,2,6-9,15H2,1H3
InChIKeyDICMVGOUOYNCRR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.02
Rot. Bonds3

About 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline

2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline (PubChem CID 63330879) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
PubChem CID63330879
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
SMILESCCC1CN(Cc2c(N)cccc2F)CCO1
InChIInChI=1S/C13H19FN2O/c1-2-10-8-16(6-7-17-10)9-11-12(14)4-3-5-13(11)15/h3-5,10H,2,6-9,15H2,1H3
InChIKeyDICMVGOUOYNCRR-UHFFFAOYSA-N
XLogP2.02
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.02
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

[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
3-fluoro-2-[(3-phenylpyrrolidin-1-yl)methyl]aniline
CID 63330761
4-chloro-2-[(2-ethylmorpholin-4-yl)methyl]aniline
CID 79582785
[3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorophenyl]methanamine
CID 43562377
2-[2-(2-ethylmorpholin-4-yl)ethoxy]aniline
CID 43562249
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-3-fluoroaniline
CID 63330680
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
2-amino-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 43562236
3-chloro-2-[(2-methylmorpholin-4-yl)methyl]aniline
CID 63747624
3-[(2-ethylmorpholin-4-yl)methyl]-4-fluorobenzenecarbothioamide
CID 43562689
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline?
The IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline (CID 63330879) is 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline.
What is the SMILES notation for 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline?
The canonical SMILES for 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline is CCC1CN(Cc2c(N)cccc2F)CCO1.
What is the InChIKey of 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline?
The InChIKey is DICMVGOUOYNCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-10-8-16(6-7-17-10)9-11-12(14)4-3-5-13(11)15/h3-5,10H,2,6-9,15H2,1H3.
What are the key properties of 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline?
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline has a molecular weight of 238.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline is sourced from PubChem (CID 63330879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).