2-fluoro-N-(2-methoxyethyl)-5-methylaniline

C10H14FNO — CID 28968489

IUPAC2-fluoro-N-(2-methoxyethyl)-5-methylaniline
SMILESCOCCNc1cc(C)ccc1F
InChIInChI=1S/C10H14FNO/c1-8-3-4-9(11)10(7-8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyPFEKCRWPHINWMQ-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.19
Rot. Bonds4

About 2-fluoro-N-(2-methoxyethyl)-5-methylaniline

2-fluoro-N-(2-methoxyethyl)-5-methylaniline (PubChem CID 28968489) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-fluoro-N-(2-methoxyethyl)-5-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-(2-methoxyethyl)-5-methylaniline
PubChem CID28968489
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-fluoro-N-(2-methoxyethyl)-5-methylaniline
SMILESCOCCNc1cc(C)ccc1F
InChIInChI=1S/C10H14FNO/c1-8-3-4-9(11)10(7-8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3
InChIKeyPFEKCRWPHINWMQ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methoxyethyl)-5-methylaniline?
The IUPAC name of 2-fluoro-N-(2-methoxyethyl)-5-methylaniline (CID 28968489) is 2-fluoro-N-(2-methoxyethyl)-5-methylaniline.
What is the SMILES notation for 2-fluoro-N-(2-methoxyethyl)-5-methylaniline?
The canonical SMILES for 2-fluoro-N-(2-methoxyethyl)-5-methylaniline is COCCNc1cc(C)ccc1F.
What is the InChIKey of 2-fluoro-N-(2-methoxyethyl)-5-methylaniline?
The InChIKey is PFEKCRWPHINWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8-3-4-9(11)10(7-8)12-5-6-13-2/h3-4,7,12H,5-6H2,1-2H3.
What are the key properties of 2-fluoro-N-(2-methoxyethyl)-5-methylaniline?
2-fluoro-N-(2-methoxyethyl)-5-methylaniline has a molecular weight of 183.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-methoxyethyl)-5-methylaniline is sourced from PubChem (CID 28968489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).