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

C17H29FN2 — CID 79484228

IUPAC4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CC(C)C)c1ccc(F)cc1CNC
InChIInChI=1S/C17H29FN2/c1-6-16(7-2)20(12-13(3)4)17-9-8-15(18)10-14(17)11-19-5/h8-10,13,16,19H,6-7,11-12H2,1-5H3
InChIKeyKSEFJOXOEDSBSD-UHFFFAOYSA-N
MW280.43 g/mol
LogP4.20
Rot. Bonds8

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

4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline (PubChem CID 79484228) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline.

Molecular Properties

Compound Name4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
PubChem CID79484228
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline
SMILESCCC(CC)N(CC(C)C)c1ccc(F)cc1CNC
InChIInChI=1S/C17H29FN2/c1-6-16(7-2)20(12-13(3)4)17-9-8-15(18)10-14(17)11-19-5/h8-10,13,16,19H,6-7,11-12H2,1-5H3
InChIKeyKSEFJOXOEDSBSD-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 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 ≤ 54.20
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
2-(2-aminoethyl)-4-fluoro-N-(2-methylpropyl)-N-pentan-3-ylaniline
CID 79489813
4-fluoro-2-(methylaminomethyl)-N-propan-2-yl-N-propylaniline
CID 43313954
N-butan-2-yl-4-fluoro-N-(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 54999850
2-[(tert-butylamino)methyl]-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551384
4-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylpyridin-3-amine
CID 105074176
5-fluoro-N'-hydroxy-2-[2-methylpropyl(pentan-3-yl)amino]benzenecarboximidamide
CID 79490936
4-fluoro-N,N-bis(2-methoxyethyl)-2-(methylaminomethyl)aniline
CID 61418968
4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 43313970
N,N,N'-triethyl-N'-[4-fluoro-2-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995296
3-fluoro-1-N-(2-methylpropyl)-1-N-pentan-3-ylbenzene-1,2-diamine
CID 79483525

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The IUPAC name of 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline (CID 79484228) is 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline.
What is the SMILES notation for 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The canonical SMILES for 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline is CCC(CC)N(CC(C)C)c1ccc(F)cc1CNC.
What is the InChIKey of 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline?
The InChIKey is KSEFJOXOEDSBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-6-16(7-2)20(12-13(3)4)17-9-8-15(18)10-14(17)11-19-5/h8-10,13,16,19H,6-7,11-12H2,1-5H3.
What are the key properties of 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline?
4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline has a molecular weight of 280.43 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-pentan-3-ylaniline is sourced from PubChem (CID 79484228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).