2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine

C14H23FN2 — CID 79061366

IUPAC2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CC)(C(N)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C14H23FN2/c1-5-14(6-2,17(3)4)13(16)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3
InChIKeyQAJVJQNFTKEXMS-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.95
Rot. Bonds5

About 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine

2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine (PubChem CID 79061366) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
PubChem CID79061366
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine
SMILESCCC(CC)(C(N)c1ccc(F)cc1)N(C)C
InChIInChI=1S/C14H23FN2/c1-5-14(6-2,17(3)4)13(16)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3
InChIKeyQAJVJQNFTKEXMS-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine (CID 79061366) is 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine is CCC(CC)(C(N)c1ccc(F)cc1)N(C)C.
What is the InChIKey of 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
The InChIKey is QAJVJQNFTKEXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-14(6-2,17(3)4)13(16)11-7-9-12(15)10-8-11/h7-10,13H,5-6,16H2,1-4H3.
What are the key properties of 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine?
2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-fluorophenyl)-2-N,2-N-dimethylbutane-1,2-diamine is sourced from PubChem (CID 79061366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).