2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline

C15H25FN2 — CID 114070065

IUPAC2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1c(F)cccc1CCN
InChIInChI=1S/C15H25FN2/c1-11(2)10-12(3)18(4)15-13(8-9-17)6-5-7-14(15)16/h5-7,11-12H,8-10,17H2,1-4H3
InChIKeyOQTXTBAKQPHZJL-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.20
Rot. Bonds6

About 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline

2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline (PubChem CID 114070065) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
PubChem CID114070065
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
SMILESCC(C)CC(C)N(C)c1c(F)cccc1CCN
InChIInChI=1S/C15H25FN2/c1-11(2)10-12(3)18(4)15-13(8-9-17)6-5-7-14(15)16/h5-7,11-12H,8-10,17H2,1-4H3
InChIKeyOQTXTBAKQPHZJL-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyl)-6-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 114070080
2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 82505630
2-ethyl-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 163258741
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
2-(2-aminoethyl)-6-chloro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 114069962
2-fluoro-6-[methyl(4-methylpentan-2-yl)amino]benzonitrile
CID 78958831
2-(2-aminoethyl)-N-butyl-N-cyclopropyl-6-fluoroaniline
CID 114070011
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
5-chloro-6-fluoro-1-N-methyl-1-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 103552904
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
2-(aminomethyl)-5-chloro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 63082311
4-[(1R)-1-aminoethyl]-2-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 78935421

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The IUPAC name of 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline (CID 114070065) is 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline.
What is the SMILES notation for 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The canonical SMILES for 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline is CC(C)CC(C)N(C)c1c(F)cccc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
The InChIKey is OQTXTBAKQPHZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-11(2)10-12(3)18(4)15-13(8-9-17)6-5-7-14(15)16/h5-7,11-12H,8-10,17H2,1-4H3.
What are the key properties of 2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline?
2-(2-aminoethyl)-6-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline has a molecular weight of 252.38 g/mol, XLogP of 3.20, 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-(4-methylpentan-2-yl)aniline is sourced from PubChem (CID 114070065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).