2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline

C14H23FN2 — CID 114070080

IUPAC2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
SMILESCC(C)CCN(C)c1c(F)cccc1CCN
InChIInChI=1S/C14H23FN2/c1-11(2)8-10-17(3)14-12(7-9-16)5-4-6-13(14)15/h4-6,11H,7-10,16H2,1-3H3
InChIKeyULWMUEIYMYGTME-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline

2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline (PubChem CID 114070080) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
PubChem CID114070080
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
SMILESCC(C)CCN(C)c1c(F)cccc1CCN
InChIInChI=1S/C14H23FN2/c1-11(2)8-10-17(3)14-12(7-9-16)5-4-6-13(14)15/h4-6,11H,7-10,16H2,1-3H3
InChIKeyULWMUEIYMYGTME-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 114070065
2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 82505630
2-fluoro-N-methyl-N-(2-methylpropyl)-6-[(propan-2-ylamino)methyl]aniline
CID 114068173
2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 163258741
2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
CID 114070011
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 114069962
N-[2-[2-(aminomethyl)phenyl]ethyl]-N,3-dimethylbutan-1-amine
CID 81321976
2-N-[(2-fluorophenyl)methyl]-2-N,2,5-trimethylhexane-1,2-diamine
CID 61412776
1-[2-(2-fluorophenyl)ethyl]-1-methylhydrazine
CID 46929953
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline?
The IUPAC name of 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline (CID 114070080) is 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline is CC(C)CCN(C)c1c(F)cccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline?
The InChIKey is ULWMUEIYMYGTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(2)8-10-17(3)14-12(7-9-16)5-4-6-13(14)15/h4-6,11H,7-10,16H2,1-3H3.
What are the key properties of 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline?
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline has a molecular weight of 238.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline is sourced from PubChem (CID 114070080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).