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

C17H27FN2 — CID 63071507

IUPAC2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
SMILESCN(CC1CCC1)c1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C17H27FN2/c1-17(2,3)19-11-14-10-15(18)8-9-16(14)20(4)12-13-6-5-7-13/h8-10,13,19H,5-7,11-12H2,1-4H3
InChIKeyPLTREGUYFRQZIE-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.95
Rot. Bonds5

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

2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline (PubChem CID 63071507) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
PubChem CID63071507
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC Name2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
SMILESCN(CC1CCC1)c1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C17H27FN2/c1-17(2,3)19-11-14-10-15(18)8-9-16(14)20(4)12-13-6-5-7-13/h8-10,13,19H,5-7,11-12H2,1-4H3
InChIKeyPLTREGUYFRQZIE-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-4-fluoro-N-methyl-2-(methylaminomethyl)aniline
CID 61446915
2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
CID 63551513
4-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63631090
2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63550590
[2-[cyclohexylmethyl(methyl)amino]-5-fluorophenyl]methanol
CID 61446000
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
CID 63059657
2-[(tert-butylamino)methyl]-5-chloro-N-(cyclopentylmethyl)-N-methylaniline
CID 114851335
4-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-3-ylmethyl)aniline
CID 63713648
N-(cyclopropylmethyl)-4-fluoro-2-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63059181
2-[2-[(tert-butylamino)methyl]-4-fluoro-N-methylanilino]-N-methylacetamide
CID 63060924
N-[[2-(cyclopropylmethoxy)-5-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 107696527
4-fluoro-N-methyl-N-(oxan-3-ylmethyl)-2-(propylaminomethyl)aniline
CID 63711217

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline (CID 63071507) is 2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline is CN(CC1CCC1)c1ccc(F)cc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline?
The InChIKey is PLTREGUYFRQZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-17(2,3)19-11-14-10-15(18)8-9-16(14)20(4)12-13-6-5-7-13/h8-10,13,19H,5-7,11-12H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline?
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline has a molecular weight of 278.42 g/mol, XLogP of 3.95, 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-(cyclobutylmethyl)-4-fluoro-N-methylaniline is sourced from PubChem (CID 63071507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).