N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline

C18H23FN2 — CID 43281516

IUPACN-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
SMILESCCNCc1ccc(N(CC)Cc2ccccc2)c(F)c1
InChIInChI=1S/C18H23FN2/c1-3-20-13-16-10-11-18(17(19)12-16)21(4-2)14-15-8-6-5-7-9-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyMJSCIGGZLZAREW-UHFFFAOYSA-N
MW286.39 g/mol
LogP3.96
Rot. Bonds7

About N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline

N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline (PubChem CID 43281516) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline.

Molecular Properties

Compound NameN-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
PubChem CID43281516
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC NameN-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline
SMILESCCNCc1ccc(N(CC)Cc2ccccc2)c(F)c1
InChIInChI=1S/C18H23FN2/c1-3-20-13-16-10-11-18(17(19)12-16)21(4-2)14-15-8-6-5-7-9-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKeyMJSCIGGZLZAREW-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-propylaniline
CID 43281781
N-ethyl-4-(ethylaminomethyl)-2-fluoro-N-(2-methylpropyl)aniline
CID 43281990
N-benzyl-N-ethyl-2-fluoro-5-(propylaminomethyl)aniline
CID 84753514
3-[[3-[benzyl(ethyl)amino]-4-fluorophenyl]methylamino]propan-1-ol
CID 84753512
N-[(4-chlorophenyl)methyl]-4-(ethylaminomethyl)-2-fluoro-N-methylaniline
CID 61414703
1-[[4-(diethylamino)-3-fluorophenyl]methylamino]propan-2-ol
CID 111440118
N-ethyl-N-[[3-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429303
N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-methylaniline
CID 62135526
N-ethyl-N-[[4-(ethylaminomethyl)phenyl]methyl]-4-fluoroaniline
CID 62429487
2-chloro-N-ethyl-4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)aniline
CID 81147968
4-[(N-ethyl-2-fluoroanilino)methyl]-2,6-difluorophenol
CID 82981844
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline?
The IUPAC name of N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline (CID 43281516) is N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline.
What is the SMILES notation for N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline?
The canonical SMILES for N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline is CCNCc1ccc(N(CC)Cc2ccccc2)c(F)c1.
What is the InChIKey of N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline?
The InChIKey is MJSCIGGZLZAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-20-13-16-10-11-18(17(19)12-16)21(4-2)14-15-8-6-5-7-9-15/h5-12,20H,3-4,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline?
N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline has a molecular weight of 286.39 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-4-(ethylaminomethyl)-2-fluoroaniline is sourced from PubChem (CID 43281516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).