2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline

C18H29FN2 — CID 63550590

IUPAC2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
SMILESCCN(c1ccc(F)cc1CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C18H29FN2/c1-5-21(16-8-6-7-9-16)17-11-10-15(19)12-14(17)13-20-18(2,3)4/h10-12,16,20H,5-9,13H2,1-4H3
InChIKeyRYPWBOJDGMLQCI-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.48
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline

2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline (PubChem CID 63550590) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
PubChem CID63550590
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
SMILESCCN(c1ccc(F)cc1CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C18H29FN2/c1-5-21(16-8-6-7-9-16)17-11-10-15(19)12-14(17)13-20-18(2,3)4/h10-12,16,20H,5-9,13H2,1-4H3
InChIKeyRYPWBOJDGMLQCI-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
CID 63551513
2-(aminomethyl)-N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 43313792
N-cyclopentyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63550591
N-cyclohexyl-N-ethyl-4-fluoro-2-(propylaminomethyl)aniline
CID 43313789
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
N-cyclopropyl-N-ethyl-4-fluoro-2-[(2-methylpropylamino)methyl]aniline
CID 63060362
4-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethylpyridin-3-amine
CID 105072970
2-(bromomethyl)-N-cyclopropyl-N-ethyl-4-fluoroaniline
CID 107079822
N-cyclopentyl-N-ethyl-2-[1-(ethylamino)ethyl]-4-fluoroaniline
CID 43541268
2-[(1R)-1-aminoethyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63368344
2-[(tert-butylamino)methyl]-N-ethyl-4-fluoro-N-(2-methylbutyl)aniline
CID 79480861
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline (CID 63550590) is 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline is CCN(c1ccc(F)cc1CNC(C)(C)C)C1CCCC1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline?
The InChIKey is RYPWBOJDGMLQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-5-21(16-8-6-7-9-16)17-11-10-15(19)12-14(17)13-20-18(2,3)4/h10-12,16,20H,5-9,13H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline?
2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline has a molecular weight of 292.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 63550590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).