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

C13H19FN2O — CID 66429418

IUPAC4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
SMILESCN(CCC1CNCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-2-11(14)3-5-12)8-6-13-10-15-7-9-17-13/h2-5,13,15H,6-10H2,1H3
InChIKeyNKXZUGWWOQAKEL-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.64
Rot. Bonds4

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

4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline (PubChem CID 66429418) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
PubChem CID66429418
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline
SMILESCN(CCC1CNCCO1)c1ccc(F)cc1
InChIInChI=1S/C13H19FN2O/c1-16(12-4-2-11(14)3-5-12)8-6-13-10-15-7-9-17-13/h2-5,13,15H,6-10H2,1H3
InChIKeyNKXZUGWWOQAKEL-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-morpholin-2-ylethyl)pyridin-2-amine
CID 115239171
N-methyl-4-methylsulfanyl-N-(morpholin-2-ylmethyl)aniline
CID 115237571
N-methyl-N-(2-morpholin-2-ylethyl)cyclopentanamine
CID 66428985
N-methyl-2-morpholin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 66426851
2-[(3R,4S)-3-[2-(4-fluoro-N-methylanilino)ethyl]piperidin-4-yl]acetic acid
CID 77059007
N-[2-(N-methylanilino)ethyl]-2-morpholin-2-ylacetamide;dihydrochloride
CID 119837655
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-morpholin-2-ylethanamine
CID 66429621
N-[2-(dimethylamino)ethyl]-4-fluoro-N-(morpholin-2-ylmethyl)benzamide
CID 42861324
N-[(2-bromophenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 66426648
N-methyl-2-morpholin-2-yl-N-(2-thiophen-2-ylethyl)ethanamine
CID 79487699
N-[(5-bromo-2-methylphenyl)methyl]-N-methyl-2-morpholin-2-ylethanamine
CID 115239238
2-cyclobutyl-N-methyl-N-(2-morpholin-2-ylethyl)ethanamine
CID 115239302

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline?
The IUPAC name of 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline (CID 66429418) is 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline.
What is the SMILES notation for 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline?
The canonical SMILES for 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline is CN(CCC1CNCCO1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline?
The InChIKey is NKXZUGWWOQAKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-16(12-4-2-11(14)3-5-12)8-6-13-10-15-7-9-17-13/h2-5,13,15H,6-10H2,1H3.
What are the key properties of 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline?
4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline has a molecular weight of 238.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(2-morpholin-2-ylethyl)aniline is sourced from PubChem (CID 66429418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).