N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine

C13H21FN2 — CID 65247212

IUPACN'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-13(2,10-15)8-9-16(3)12-6-4-11(14)5-7-12/h4-7H,8-10,15H2,1-3H3
InChIKeyPGLYPEPHIKGHDK-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.64
Rot. Bonds5

About N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine

N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 65247212) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
PubChem CID65247212
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-13(2,10-15)8-9-16(3)12-6-4-11(14)5-7-12/h4-7H,8-10,15H2,1-3H3
InChIKeyPGLYPEPHIKGHDK-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine (CID 65247212) is N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine is CN(CCC(C)(C)CN)c1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is PGLYPEPHIKGHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-13(2,10-15)8-9-16(3)12-6-4-11(14)5-7-12/h4-7H,8-10,15H2,1-3H3.
What are the key properties of N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine?
N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 65247212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).