4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline

C16H27FN2 — CID 63784071

IUPAC4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline
SMILESCCCCN(CCCC)c1ccc(CCN)cc1F
InChIInChI=1S/C16H27FN2/c1-3-5-11-19(12-6-4-2)16-8-7-14(9-10-18)13-15(16)17/h7-8,13H,3-6,9-12,18H2,1-2H3
InChIKeyGLGWOGCGDFWECT-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.73
Rot. Bonds9

About 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline

4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline (PubChem CID 63784071) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline
PubChem CID63784071
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline
SMILESCCCCN(CCCC)c1ccc(CCN)cc1F
InChIInChI=1S/C16H27FN2/c1-3-5-11-19(12-6-4-2)16-8-7-14(9-10-18)13-15(16)17/h7-8,13H,3-6,9-12,18H2,1-2H3
InChIKeyGLGWOGCGDFWECT-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminoethyl)-N-butyl-N-ethyl-2-methylaniline
CID 63782866
4-(bromomethyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 107079325
4-(2-aminoethyl)-2-fluoro-N-methyl-N-pentan-3-ylaniline
CID 55236964
4-(aminomethyl)-N-butyl-2-fluoro-N-methylaniline
CID 28965098
4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 63786416
2,4-difluoro-N-hexyl-N-nonylaniline
CID 22637380
N-butyl-N-[(4-chlorophenyl)methyl]-2,4-difluoroaniline
CID 87694469
N-butyl-4-[(tert-butylamino)methyl]-N-ethyl-2-fluoroaniline
CID 63550946
2-fluoro-N,N-dimethyl-4-propylaniline
CID 89112656
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
2-(2-aminoethyl)-5-(dibutylamino)phenol
CID 170868882

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline?
The IUPAC name of 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline (CID 63784071) is 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline?
The canonical SMILES for 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline is CCCCN(CCCC)c1ccc(CCN)cc1F.
What is the InChIKey of 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline?
The InChIKey is GLGWOGCGDFWECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-3-5-11-19(12-6-4-2)16-8-7-14(9-10-18)13-15(16)17/h7-8,13H,3-6,9-12,18H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline?
4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline has a molecular weight of 266.40 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline is sourced from PubChem (CID 63784071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).