4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

C16H27FN2 — CID 43679319

IUPAC4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCCC(CC)CNc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C16H27FN2/c1-6-13(7-2)11-18-14-8-9-16(15(17)10-14)19(5)12(3)4/h8-10,12-13,18H,6-7,11H2,1-5H3
InChIKeyUCYFVWBWYUYRCP-UHFFFAOYSA-N
MW266.40 g/mol
LogP4.52
Rot. Bonds7

About 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine

4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 43679319) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
PubChem CID43679319
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
SMILESCCC(CC)CNc1ccc(N(C)C(C)C)c(F)c1
InChIInChI=1S/C16H27FN2/c1-6-13(7-2)11-18-14-8-9-16(15(17)10-14)19(5)12(3)4/h8-10,12-13,18H,6-7,11H2,1-5H3
InChIKeyUCYFVWBWYUYRCP-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine (CID 43679319) is 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is CCC(CC)CNc1ccc(N(C)C(C)C)c(F)c1.
What is the InChIKey of 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is UCYFVWBWYUYRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-6-13(7-2)11-18-14-8-9-16(15(17)10-14)19(5)12(3)4/h8-10,12-13,18H,6-7,11H2,1-5H3.
What are the key properties of 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine?
4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 266.40 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylbutyl)-2-fluoro-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 43679319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).