3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline

C14H14F2N2 — CID 64768467

IUPAC3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
SMILESCN(Cc1ccc(N)cc1F)c1ccccc1F
InChIInChI=1S/C14H14F2N2/c1-18(14-5-3-2-4-12(14)15)9-10-6-7-11(17)8-13(10)16/h2-8H,9,17H2,1H3
InChIKeyIRTYYGNFOIFYOG-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.18
Rot. Bonds3

About 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline

3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline (PubChem CID 64768467) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
PubChem CID64768467
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
SMILESCN(Cc1ccc(N)cc1F)c1ccccc1F
InChIInChI=1S/C14H14F2N2/c1-18(14-5-3-2-4-12(14)15)9-10-6-7-11(17)8-13(10)16/h2-8H,9,17H2,1H3
InChIKeyIRTYYGNFOIFYOG-UHFFFAOYSA-N
XLogP3.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline?
The IUPAC name of 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline (CID 64768467) is 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline.
What is the SMILES notation for 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline?
The canonical SMILES for 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline is CN(Cc1ccc(N)cc1F)c1ccccc1F.
What is the InChIKey of 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline?
The InChIKey is IRTYYGNFOIFYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-18(14-5-3-2-4-12(14)15)9-10-6-7-11(17)8-13(10)16/h2-8H,9,17H2,1H3.
What are the key properties of 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline?
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline has a molecular weight of 248.28 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline is sourced from PubChem (CID 64768467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).