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

C9H12FNO — CID 67814988

IUPAC2-fluoro-5-(methoxymethyl)-N-methylaniline
SMILESCNc1cc(COC)ccc1F
InChIInChI=1S/C9H12FNO/c1-11-9-5-7(6-12-2)3-4-8(9)10/h3-5,11H,6H2,1-2H3
InChIKeyRIQWAPSTQTYZQE-UHFFFAOYSA-N
MW169.20 g/mol
LogP2.01
Rot. Bonds3

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

2-fluoro-5-(methoxymethyl)-N-methylaniline (PubChem CID 67814988) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-fluoro-5-(methoxymethyl)-N-methylaniline.

Molecular Properties

Compound Name2-fluoro-5-(methoxymethyl)-N-methylaniline
PubChem CID67814988
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-fluoro-5-(methoxymethyl)-N-methylaniline
SMILESCNc1cc(COC)ccc1F
InChIInChI=1S/C9H12FNO/c1-11-9-5-7(6-12-2)3-4-8(9)10/h3-5,11H,6H2,1-2H3
InChIKeyRIQWAPSTQTYZQE-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(methoxymethyl)-N-methylaniline?
The IUPAC name of 2-fluoro-5-(methoxymethyl)-N-methylaniline (CID 67814988) is 2-fluoro-5-(methoxymethyl)-N-methylaniline.
What is the SMILES notation for 2-fluoro-5-(methoxymethyl)-N-methylaniline?
The canonical SMILES for 2-fluoro-5-(methoxymethyl)-N-methylaniline is CNc1cc(COC)ccc1F.
What is the InChIKey of 2-fluoro-5-(methoxymethyl)-N-methylaniline?
The InChIKey is RIQWAPSTQTYZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-11-9-5-7(6-12-2)3-4-8(9)10/h3-5,11H,6H2,1-2H3.
What are the key properties of 2-fluoro-5-(methoxymethyl)-N-methylaniline?
2-fluoro-5-(methoxymethyl)-N-methylaniline has a molecular weight of 169.20 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(methoxymethyl)-N-methylaniline is sourced from PubChem (CID 67814988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).