2-(2,4,4-trimethylpentan-2-yl)aniline

C14H23N — CID 67789986

IUPAC2-(2,4,4-trimethylpentan-2-yl)aniline
SMILESCC(C)(C)CC(C)(C)c1ccccc1N
InChIInChI=1S/C14H23N/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9H,10,15H2,1-5H3
InChIKeyWFXFYOFFVKQYGM-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.98
Rot. Bonds2

About 2-(2,4,4-trimethylpentan-2-yl)aniline

2-(2,4,4-trimethylpentan-2-yl)aniline (PubChem CID 67789986) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(2,4,4-trimethylpentan-2-yl)aniline.

Molecular Properties

Compound Name2-(2,4,4-trimethylpentan-2-yl)aniline
PubChem CID67789986
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(2,4,4-trimethylpentan-2-yl)aniline
SMILESCC(C)(C)CC(C)(C)c1ccccc1N
InChIInChI=1S/C14H23N/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9H,10,15H2,1-5H3
InChIKeyWFXFYOFFVKQYGM-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethylpentan-2-yl)aniline?
The IUPAC name of 2-(2,4,4-trimethylpentan-2-yl)aniline (CID 67789986) is 2-(2,4,4-trimethylpentan-2-yl)aniline.
What is the SMILES notation for 2-(2,4,4-trimethylpentan-2-yl)aniline?
The canonical SMILES for 2-(2,4,4-trimethylpentan-2-yl)aniline is CC(C)(C)CC(C)(C)c1ccccc1N.
What is the InChIKey of 2-(2,4,4-trimethylpentan-2-yl)aniline?
The InChIKey is WFXFYOFFVKQYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15/h6-9H,10,15H2,1-5H3.
What are the key properties of 2-(2,4,4-trimethylpentan-2-yl)aniline?
2-(2,4,4-trimethylpentan-2-yl)aniline has a molecular weight of 205.34 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethylpentan-2-yl)aniline is sourced from PubChem (CID 67789986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).