2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline

C16H19FN2 — CID 64769965

IUPAC2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
SMILESCCN(Cc1ccc(F)cc1N)c1ccccc1C
InChIInChI=1S/C16H19FN2/c1-3-19(16-7-5-4-6-12(16)2)11-13-8-9-14(17)10-15(13)18/h4-10H,3,11,18H2,1-2H3
InChIKeyLTHFHCGPDNUNOG-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.74
Rot. Bonds4

About 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline

2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline (PubChem CID 64769965) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline.

Molecular Properties

Compound Name2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
PubChem CID64769965
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
SMILESCCN(Cc1ccc(F)cc1N)c1ccccc1C
InChIInChI=1S/C16H19FN2/c1-3-19(16-7-5-4-6-12(16)2)11-13-8-9-14(17)10-15(13)18/h4-10H,3,11,18H2,1-2H3
InChIKeyLTHFHCGPDNUNOG-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-ethyl-2-methylaniline
CID 63289026
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
2-[(N-ethyl-2-methylanilino)methyl]-4-fluorophenol
CID 107701862
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
3-bromo-4-[(N-ethyl-2-methylanilino)methyl]aniline
CID 60797264
2-[(N-ethyl-2-methylanilino)methyl]-4-nitroaniline
CID 62183217
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
CID 63234183
1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
1-(2,4-difluorophenyl)-2-(N-ethyl-2-methylanilino)ethanone
CID 43228309
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline?
The IUPAC name of 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline (CID 64769965) is 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline.
What is the SMILES notation for 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline?
The canonical SMILES for 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline is CCN(Cc1ccc(F)cc1N)c1ccccc1C.
What is the InChIKey of 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline?
The InChIKey is LTHFHCGPDNUNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-19(16-7-5-4-6-12(16)2)11-13-8-9-14(17)10-15(13)18/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline?
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline has a molecular weight of 258.34 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline is sourced from PubChem (CID 64769965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).