2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline

C17H29FN2 — CID 79489813

IUPAC2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CC(C)C)c1ccc(F)cc1CCN
InChIInChI=1S/C17H29FN2/c1-5-16(6-2)20(12-13(3)4)17-8-7-15(18)11-14(17)9-10-19/h7-8,11,13,16H,5-6,9-10,12,19H2,1-4H3
InChIKeyXIHMGAOOHVUDEX-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.98
Rot. Bonds8

About 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline

2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline (PubChem CID 79489813) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
PubChem CID79489813
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CC(C)C)c1ccc(F)cc1CCN
InChIInChI=1S/C17H29FN2/c1-5-16(6-2)20(12-13(3)4)17-8-7-15(18)11-14(17)9-10-19/h7-8,11,13,16H,5-6,9-10,12,19H2,1-4H3
InChIKeyXIHMGAOOHVUDEX-UHFFFAOYSA-N
XLogP3.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(bromomethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 107084455
2-(chloromethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79483553
4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79484228
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 63783578
5-fluoro-N'-hydroxy-2-[2-methylpropyl(pentan-3-yl)amino]benzenecarboximidamide
CID 79490936
3-fluoro-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,2-diamine
CID 79483525
2-(aminomethyl)-4-bromo-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 114889739
2-(2-aminoethyl)-N-ethyl-4-fluoro-N-propylaniline
CID 63783053
2-(2-aminoethyl)-4-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)aniline
CID 112666798
2-(difluoromethyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 79483856
2-[(tert-butylamino)methyl]-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551384
2-(2-aminoethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55234833

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The IUPAC name of 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline (CID 79489813) is 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline.
What is the SMILES notation for 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The canonical SMILES for 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline is CCC(CC)N(CC(C)C)c1ccc(F)cc1CCN.
What is the InChIKey of 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The InChIKey is XIHMGAOOHVUDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-5-16(6-2)20(12-13(3)4)17-8-7-15(18)11-14(17)9-10-19/h7-8,11,13,16H,5-6,9-10,12,19H2,1-4H3.
What are the key properties of 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline?
2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline has a molecular weight of 280.43 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline is sourced from PubChem (CID 79489813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).