5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine

C12H17ClFN3O — CID 115681758

IUPAC5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
SMILESCCN1CCOC(CNc2ncc(Cl)cc2F)C1
InChIInChI=1S/C12H17ClFN3O/c1-2-17-3-4-18-10(8-17)7-16-12-11(14)5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyQUWVXQXMNBFXSY-UHFFFAOYSA-N
MW273.74 g/mol
LogP2.01
Rot. Bonds4

About 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine

5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine (PubChem CID 115681758) has the molecular formula C12H17ClFN3O and a molecular weight of 273.74 g/mol. Its IUPAC name is 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
PubChem CID115681758
Molecular FormulaC12H17ClFN3O
Molecular Weight273.74 g/mol
Exact Mass273.10
IUPAC Name5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
SMILESCCN1CCOC(CNc2ncc(Cl)cc2F)C1
InChIInChI=1S/C12H17ClFN3O/c1-2-17-3-4-18-10(8-17)7-16-12-11(14)5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyQUWVXQXMNBFXSY-UHFFFAOYSA-N
XLogP2.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
2,4,6-trichloro-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164415
N-[(4-ethylmorpholin-2-yl)methyl]-3,4,5-trifluoroaniline
CID 79165761
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
6-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 103880098
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2-methoxypyrimidin-4-amine
CID 115733628
5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114401101
5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114400346
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 114400988
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
N-[(4-ethylmorpholin-2-yl)methyl]pyridin-4-amine
CID 114400660

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine (CID 115681758) is 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine is CCN1CCOC(CNc2ncc(Cl)cc2F)C1.
What is the InChIKey of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine?
The InChIKey is QUWVXQXMNBFXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClFN3O/c1-2-17-3-4-18-10(8-17)7-16-12-11(14)5-9(13)6-15-12/h5-6,10H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine?
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine has a molecular weight of 273.74 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine is sourced from PubChem (CID 115681758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).