2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline

C15H23FN2 — CID 114070011

IUPAC2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
SMILESCCCCN(c1c(F)cccc1CCN)C1CC1
InChIInChI=1S/C15H23FN2/c1-2-3-11-18(13-7-8-13)15-12(9-10-17)5-4-6-14(15)16/h4-6,13H,2-3,7-11,17H2,1H3
InChIKeyYAOCLHBKAFMROE-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.10
Rot. Bonds7

About 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline

2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline (PubChem CID 114070011) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
PubChem CID114070011
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
SMILESCCCCN(c1c(F)cccc1CCN)C1CC1
InChIInChI=1S/C15H23FN2/c1-2-3-11-18(13-7-8-13)15-12(9-10-17)5-4-6-14(15)16/h4-6,13H,2-3,7-11,17H2,1H3
InChIKeyYAOCLHBKAFMROE-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(ethylaminomethyl)-6-fluoro-N-propylaniline
CID 114068167
2-N-butyl-3-chloro-2-N-cyclopropylbenzene-1,2-diamine
CID 61440812
2-(aminomethyl)-N-cyclopropyl-3-fluoro-N-propylaniline
CID 79517972
4-(aminomethyl)-N-butyl-N-cyclopropyl-3-fluoropyridin-2-amine
CID 105389359
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833
N'-(2-fluorophenyl)-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 64750042
4-(2-aminobutyl)-N-butyl-N-cyclopropyl-2,6-difluoroaniline
CID 63817015
N-cyclopropyl-2-fluoro-6-[1-(methylamino)ethyl]-N-propylaniline
CID 114058621
4-(aminomethyl)-N-cyclopropyl-2,6-difluoro-N-propylaniline
CID 63052124
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 114070080
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 114070065
2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline?
The IUPAC name of 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline (CID 114070011) is 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline.
What is the SMILES notation for 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline?
The canonical SMILES for 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline is CCCCN(c1c(F)cccc1CCN)C1CC1.
What is the InChIKey of 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline?
The InChIKey is YAOCLHBKAFMROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-3-11-18(13-7-8-13)15-12(9-10-17)5-4-6-14(15)16/h4-6,13H,2-3,7-11,17H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline?
2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline is sourced from PubChem (CID 114070011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).