4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline

C16H27FN2 — CID 63786416

IUPAC4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline
SMILESCCCCN(CC)c1ccc(CC(N)CC)cc1F
InChIInChI=1S/C16H27FN2/c1-4-7-10-19(6-3)16-9-8-13(12-15(16)17)11-14(18)5-2/h8-9,12,14H,4-7,10-11,18H2,1-3H3
InChIKeyFVWANIMYZJYRAL-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.73
Rot. Bonds8

About 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline

4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline (PubChem CID 63786416) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline
PubChem CID63786416
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline
SMILESCCCCN(CC)c1ccc(CC(N)CC)cc1F
InChIInChI=1S/C16H27FN2/c1-4-7-10-19(6-3)16-9-8-13(12-15(16)17)11-14(18)5-2/h8-9,12,14H,4-7,10-11,18H2,1-3H3
InChIKeyFVWANIMYZJYRAL-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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-aminobutyl)-2-fluoro-N-methyl-N-pentylaniline
CID 63785639
4-(bromomethyl)-N-butyl-N-ethyl-2-fluoroaniline
CID 107079325
4-(2-aminoethyl)-N,N-dibutyl-2-fluoroaniline
CID 63784071
N-butyl-4-[(tert-butylamino)methyl]-N-ethyl-2-fluoroaniline
CID 63550946
2-(2-aminobutyl)-N-butyl-N-ethylaniline
CID 63785761
(1R)-1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 55183360
1-[4-[butyl(ethyl)amino]-3-fluorophenyl]ethanol
CID 43505973
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146
4-(2-aminobutyl)-N-ethyl-N-propylaniline
CID 55237765
1-(3,4-difluorophenyl)-3-methylheptan-2-amine
CID 114246498
2-[4-(aminomethyl)-N-ethyl-2-fluoroanilino]ethanol
CID 60979832
4-(2-aminobutyl)-2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 63785488

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline?
The IUPAC name of 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline (CID 63786416) is 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline.
What is the SMILES notation for 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline?
The canonical SMILES for 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline is CCCCN(CC)c1ccc(CC(N)CC)cc1F.
What is the InChIKey of 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline?
The InChIKey is FVWANIMYZJYRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-7-10-19(6-3)16-9-8-13(12-15(16)17)11-14(18)5-2/h8-9,12,14H,4-7,10-11,18H2,1-3H3.
What are the key properties of 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline?
4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline has a molecular weight of 266.40 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-butyl-N-ethyl-2-fluoroaniline is sourced from PubChem (CID 63786416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).