2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline

C16H27FN2 — CID 63059657

IUPAC2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C16H27FN2/c1-12(2)11-19(6)15-8-7-14(17)9-13(15)10-18-16(3,4)5/h7-9,12,18H,10-11H2,1-6H3
InChIKeyQEBCCINMHNSGFT-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.81
Rot. Bonds5

About 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline

2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline (PubChem CID 63059657) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
PubChem CID63059657
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(C)c1ccc(F)cc1CNC(C)(C)C
InChIInChI=1S/C16H27FN2/c1-12(2)11-19(6)15-8-7-14(17)9-13(15)10-18-16(3,4)5/h7-9,12,18H,10-11H2,1-6H3
InChIKeyQEBCCINMHNSGFT-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(tert-butylamino)methyl]-4-fluoro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 63551384
4-fluoro-N-methyl-N-(2-methylpropyl)-2-(propylaminomethyl)aniline
CID 43313970
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
2-[(tert-butylamino)methyl]-N-(cyclobutylmethyl)-4-fluoro-N-methylaniline
CID 63071507
2-[(tert-butylamino)methyl]-N-cyclohexyl-4-fluoro-N-methylaniline
CID 63551513
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
(1R)-1-[5-fluoro-2-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 63370772
2-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylbutyl)aniline
CID 43314003
2-[(tert-butylamino)methyl]-N-cyclopentyl-N-ethyl-4-fluoroaniline
CID 63550590
2-[(tert-butylamino)methyl]-4-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 114849963
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline (CID 63059657) is 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline is CC(C)CN(C)c1ccc(F)cc1CNC(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline?
The InChIKey is QEBCCINMHNSGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-12(2)11-19(6)15-8-7-14(17)9-13(15)10-18-16(3,4)5/h7-9,12,18H,10-11H2,1-6H3.
What are the key properties of 2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline?
2-[(tert-butylamino)methyl]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline has a molecular weight of 266.40 g/mol, XLogP of 3.81, 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]-4-fluoro-N-methyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 63059657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).