N,4-ditert-butyl-5-fluoro-2-methylaniline

C15H24FN — CID 130287706

IUPACN,4-ditert-butyl-5-fluoro-2-methylaniline
SMILESCc1cc(C(C)(C)C)c(F)cc1NC(C)(C)C
InChIInChI=1S/C15H24FN/c1-10-8-11(14(2,3)4)12(16)9-13(10)17-15(5,6)7/h8-9,17H,1-7H3
InChIKeyGMHDNOPGRNQOFT-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.64
Rot. Bonds1

About N,4-ditert-butyl-5-fluoro-2-methylaniline

N,4-ditert-butyl-5-fluoro-2-methylaniline (PubChem CID 130287706) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N,4-ditert-butyl-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN,4-ditert-butyl-5-fluoro-2-methylaniline
PubChem CID130287706
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN,4-ditert-butyl-5-fluoro-2-methylaniline
SMILESCc1cc(C(C)(C)C)c(F)cc1NC(C)(C)C
InChIInChI=1S/C15H24FN/c1-10-8-11(14(2,3)4)12(16)9-13(10)17-15(5,6)7/h8-9,17H,1-7H3
InChIKeyGMHDNOPGRNQOFT-UHFFFAOYSA-N
XLogP4.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-ditert-butyl-5-fluoro-2-methylaniline?
The IUPAC name of N,4-ditert-butyl-5-fluoro-2-methylaniline (CID 130287706) is N,4-ditert-butyl-5-fluoro-2-methylaniline.
What is the SMILES notation for N,4-ditert-butyl-5-fluoro-2-methylaniline?
The canonical SMILES for N,4-ditert-butyl-5-fluoro-2-methylaniline is Cc1cc(C(C)(C)C)c(F)cc1NC(C)(C)C.
What is the InChIKey of N,4-ditert-butyl-5-fluoro-2-methylaniline?
The InChIKey is GMHDNOPGRNQOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-10-8-11(14(2,3)4)12(16)9-13(10)17-15(5,6)7/h8-9,17H,1-7H3.
What are the key properties of N,4-ditert-butyl-5-fluoro-2-methylaniline?
N,4-ditert-butyl-5-fluoro-2-methylaniline has a molecular weight of 237.36 g/mol, XLogP of 4.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-ditert-butyl-5-fluoro-2-methylaniline is sourced from PubChem (CID 130287706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).