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

C16H19FN2 — CID 63330884

IUPAC2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
SMILESCCN(Cc1c(N)cccc1F)c1cccc(C)c1
InChIInChI=1S/C16H19FN2/c1-3-19(13-7-4-6-12(2)10-13)11-14-15(17)8-5-9-16(14)18/h4-10H,3,11,18H2,1-2H3
InChIKeyCESNKHJGFVYSQU-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.74
Rot. Bonds4

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

2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline (PubChem CID 63330884) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
PubChem CID63330884
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline
SMILESCCN(Cc1c(N)cccc1F)c1cccc(C)c1
InChIInChI=1S/C16H19FN2/c1-3-19(13-7-4-6-12(2)10-13)11-14-15(17)8-5-9-16(14)18/h4-10H,3,11,18H2,1-2H3
InChIKeyCESNKHJGFVYSQU-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

3-[(2-amino-6-fluorophenyl)methyl-ethylamino]phenol
CID 107733913
2-[(N-ethyl-3-methylanilino)methyl]-4-fluoroaniline
CID 61076053
N-ethyl-N-[[4-[(N-ethyl-3-methylanilino)methyl]phenyl]methyl]-3-methylaniline
CID 23342282
3-[(N-ethyl-3-methylanilino)methyl]-4-methylaniline
CID 82131996
2-[[ethyl(2-methylpropyl)amino]methyl]-3-fluoroaniline
CID 63330668
N,N'-diethyl-N,N'-bis(3-methylphenyl)propane-1,3-diamine
CID 57172568
4-[(N-ethyl-3-methylanilino)methyl]phenol
CID 82973646
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N-ethyl-3-methylaniline
CID 62427811
N,N'-diethyl-N,N'-bis(3-methylphenyl)hexane-1,6-diamine
CID 91719494
3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
4-[(N-ethyl-3-methylanilino)methyl]-2,6-dimethylphenol
CID 82981488
azane;2-ethyl-3-fluoroaniline
CID 68647628

Frequently Asked Questions

What is the IUPAC name of 2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline?
The IUPAC name of 2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline (CID 63330884) is 2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline.
What is the SMILES notation for 2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline?
The canonical SMILES for 2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline is CCN(Cc1c(N)cccc1F)c1cccc(C)c1.
What is the InChIKey of 2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline?
The InChIKey is CESNKHJGFVYSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-19(13-7-4-6-12(2)10-13)11-14-15(17)8-5-9-16(14)18/h4-10H,3,11,18H2,1-2H3.
What are the key properties of 2-[(N-ethyl-3-methylanilino)methyl]-3-fluoroaniline?
2-[(N-ethyl-3-methylanilino)methyl]-3-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]-3-fluoroaniline is sourced from PubChem (CID 63330884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).