2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline

C18H29FN2 — CID 63551513

IUPAC2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
SMILESCN(c1ccc(F)cc1CNC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H29FN2/c1-18(2,3)20-13-14-12-15(19)10-11-17(14)21(4)16-8-6-5-7-9-16/h10-12,16,20H,5-9,13H2,1-4H3
InChIKeyFZJYEYFERSVHHD-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.48
Rot. Bonds4

About 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline

2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline (PubChem CID 63551513) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
PubChem CID63551513
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
SMILESCN(c1ccc(F)cc1CNC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H29FN2/c1-18(2,3)20-13-14-12-15(19)10-11-17(14)21(4)16-8-6-5-7-9-16/h10-12,16,20H,5-9,13H2,1-4H3
InChIKeyFZJYEYFERSVHHD-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63550590
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657
2-[(tert-butylamino)methyl]-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551384
1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
CID 43176961
2-[cycloheptyl(methyl)amino]-5-fluorobenzonitrile
CID 63667669
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924
2-[(tert-butylamino)methyl]-N-ethyl-4-fluoro-N-(2-methylbutyl)aniline
CID 79480861

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline (CID 63551513) is 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline is CN(c1ccc(F)cc1CNC(C)(C)C)C1CCCCC1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline?
The InChIKey is FZJYEYFERSVHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-18(2,3)20-13-14-12-15(19)10-11-17(14)21(4)16-8-6-5-7-9-16/h10-12,16,20H,5-9,13H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline?
2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline has a molecular weight of 292.44 g/mol, XLogP of 4.48, 4 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-cyclohexyl-4-fluoro-N-methylaniline is sourced from PubChem (CID 63551513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).