2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline

C16H19FN2 — CID 61076053

IUPAC2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
SMILESCCN(Cc1cc(F)ccc1N)c1cccc(C)c1
InChIInChI=1S/C16H19FN2/c1-3-19(15-6-4-5-12(2)9-15)11-13-10-14(17)7-8-16(13)18/h4-10H,3,11,18H2,1-2H3
InChIKeyOAFZBFHXKWWUFJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.74
Rot. Bonds4

About 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline

2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline (PubChem CID 61076053) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
PubChem CID61076053
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
SMILESCCN(Cc1cc(F)ccc1N)c1cccc(C)c1
InChIInChI=1S/C16H19FN2/c1-3-19(15-6-4-5-12(2)9-15)11-13-10-14(17)7-8-16(13)18/h4-10H,3,11,18H2,1-2H3
InChIKeyOAFZBFHXKWWUFJ-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

2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
2-[(N-ethyl-3-fluoroanilino)methyl]-5-fluoroaniline
CID 64767821
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
CID 63330884
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
2-[(N-ethyl-3-fluoroanilino)methyl]-4-nitroaniline
CID 62208380
2-[(N-ethylanilino)methyl]-4-fluorophenol
CID 102978616
3-[(N-ethyl-3-methylanilino)methyl]-2-fluorobenzonitrile
CID 107114931
1-N-ethyl-4-fluoro-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587749
2-[(N-ethyl-2-methylanilino)methyl]-5-fluoroaniline
CID 64769965
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
3-[(N-ethyl-4-methylanilino)methyl]-2-fluoroaniline
CID 107347385

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline?
The IUPAC name of 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline (CID 61076053) is 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline?
The canonical SMILES for 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline is CCN(Cc1cc(F)ccc1N)c1cccc(C)c1.
What is the InChIKey of 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline?
The InChIKey is OAFZBFHXKWWUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-19(15-6-4-5-12(2)9-15)11-13-10-14(17)7-8-16(13)18/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline?
2-[(N-ethyl-3-methylanilino)methyl]-4-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-3-methylanilino)methyl]-4-fluoroaniline is sourced from PubChem (CID 61076053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).