4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine

C11H16ClFN2O — CID 105383537

IUPAC4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCN(CCOC)c1nccc(CCl)c1F
InChIInChI=1S/C11H16ClFN2O/c1-3-15(6-7-16-2)11-10(13)9(8-12)4-5-14-11/h4-5H,3,6-8H2,1-2H3
InChIKeySLBYZRONRMZZRB-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.43
Rot. Bonds6

About 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine

4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine (PubChem CID 105383537) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
PubChem CID105383537
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
SMILESCCN(CCOC)c1nccc(CCl)c1F
InChIInChI=1S/C11H16ClFN2O/c1-3-15(6-7-16-2)11-10(13)9(8-12)4-5-14-11/h4-5H,3,6-8H2,1-2H3
InChIKeySLBYZRONRMZZRB-UHFFFAOYSA-N
XLogP2.43
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447035
N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 105383463
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
4-(aminomethyl)-N,N-bis(2-ethoxyethyl)-3-fluoropyridin-2-amine
CID 105390289
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
3-bromo-N-ethyl-N-(2-methoxyethyl)pyridin-2-amine
CID 61447485
2-[[4-(chloromethyl)-3-fluoro-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 105383808
4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
N-ethyl-5-fluoro-N-(2-methoxyethyl)pyrimidin-4-amine
CID 143431201
4-(chloromethyl)-N-ethyl-2-fluoro-N-(2-methoxyethyl)aniline
CID 61446258
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine?
The IUPAC name of 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine (CID 105383537) is 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine?
The canonical SMILES for 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine is CCN(CCOC)c1nccc(CCl)c1F.
What is the InChIKey of 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine?
The InChIKey is SLBYZRONRMZZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O/c1-3-15(6-7-16-2)11-10(13)9(8-12)4-5-14-11/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine?
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine has a molecular weight of 246.71 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine is sourced from PubChem (CID 105383537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).