4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline

C15H16F2N2 — CID 63189385

IUPAC4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
SMILESCCN(Cc1ccc(N)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H16F2N2/c1-2-19(13-6-4-12(16)5-7-13)10-11-3-8-15(18)14(17)9-11/h3-9H,2,10,18H2,1H3
InChIKeyTWQMCAYCJNQZHQ-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.57
Rot. Bonds4

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

4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline (PubChem CID 63189385) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
PubChem CID63189385
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline
SMILESCCN(Cc1ccc(N)c(F)c1)c1ccc(F)cc1
InChIInChI=1S/C15H16F2N2/c1-2-19(13-6-4-12(16)5-7-13)10-11-3-8-15(18)14(17)9-11/h3-9H,2,10,18H2,1H3
InChIKeyTWQMCAYCJNQZHQ-UHFFFAOYSA-N
XLogP3.57
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.57
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

4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
CID 107882083
2-[(N-ethyl-4-methylanilino)methyl]-4-fluoroaniline
CID 62002385
N-[(3-bromophenyl)methyl]-N-ethyl-4-fluoroaniline
CID 63459009
4-[[ethyl(propan-2-yl)amino]methyl]-2-fluoroaniline
CID 63188681
N,N-diethyl-4-fluoroaniline
CID 592416
5-[[N-[(3-amino-4-methoxyphenyl)methyl]-4-fluoroanilino]methyl]-2-methoxyaniline
CID 59540456
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
4-[(N-ethylanilino)methyl]-2-methylaniline
CID 28599045
4-N-[(2,4-difluorophenyl)methyl]-4-N-ethylbenzene-1,4-diamine
CID 63234183
N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429303
[2-bromo-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol
CID 155812949
N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 28772410

Frequently Asked Questions

What is the IUPAC name of 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline?
The IUPAC name of 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline (CID 63189385) is 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline.
What is the SMILES notation for 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline?
The canonical SMILES for 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline is CCN(Cc1ccc(N)c(F)c1)c1ccc(F)cc1.
What is the InChIKey of 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline?
The InChIKey is TWQMCAYCJNQZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c1-2-19(13-6-4-12(16)5-7-13)10-11-3-8-15(18)14(17)9-11/h3-9H,2,10,18H2,1H3.
What are the key properties of 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline?
4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline has a molecular weight of 262.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-ethyl-4-fluoroanilino)methyl]-2-fluoroaniline is sourced from PubChem (CID 63189385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).