2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine

C14H23N — CID 2574642

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1CCN
InChIInChI=1S/C14H23N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6-7,15H2,1-5H3
InChIKeyLTMDLAXVPFVGPB-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine

2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine (PubChem CID 2574642) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine
PubChem CID2574642
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1CCN
InChIInChI=1S/C14H23N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6-7,15H2,1-5H3
InChIKeyLTMDLAXVPFVGPB-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine (CID 2574642) is 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine is Cc1cc(C(C)(C)C)cc(C)c1CCN.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine?
The InChIKey is LTMDLAXVPFVGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10-8-12(14(3,4)5)9-11(2)13(10)6-7-15/h8-9H,6-7,15H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine?
2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)ethanamine is sourced from PubChem (CID 2574642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).