N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline

C17H21FN2 — CID 834538

IUPACN,N-diethyl-4-[(4-fluoroanilino)methyl]aniline
SMILESCCN(CC)c1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-12,19H,3-4,13H2,1-2H3
InChIKeyUOCHEQZTEICYCJ-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.28
Rot. Bonds6

About N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline

N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline (PubChem CID 834538) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-fluoroanilino)methyl]aniline
PubChem CID834538
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC NameN,N-diethyl-4-[(4-fluoroanilino)methyl]aniline
SMILESCCN(CC)c1ccc(CNc2ccc(F)cc2)cc1
InChIInChI=1S/C17H21FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-12,19H,3-4,13H2,1-2H3
InChIKeyUOCHEQZTEICYCJ-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline?
The IUPAC name of N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline (CID 834538) is N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline is CCN(CC)c1ccc(CNc2ccc(F)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline?
The InChIKey is UOCHEQZTEICYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-3-20(4-2)17-11-5-14(6-12-17)13-19-16-9-7-15(18)8-10-16/h5-12,19H,3-4,13H2,1-2H3.
What are the key properties of N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline?
N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline has a molecular weight of 272.37 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-fluoroanilino)methyl]aniline is sourced from PubChem (CID 834538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).