2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine

C15H26N2 — CID 116855593

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine
SMILESCc1cc(C(C)(C)C)cc(C)c1C(C)(N)CN
InChIInChI=1S/C15H26N2/c1-10-7-12(14(3,4)5)8-11(2)13(10)15(6,17)9-16/h7-8H,9,16-17H2,1-6H3
InChIKeyIVPVMGCHTITMER-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.73
Rot. Bonds2

About 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine

2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine (PubChem CID 116855593) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine
PubChem CID116855593
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine
SMILESCc1cc(C(C)(C)C)cc(C)c1C(C)(N)CN
InChIInChI=1S/C15H26N2/c1-10-7-12(14(3,4)5)8-11(2)13(10)15(6,17)9-16/h7-8H,9,16-17H2,1-6H3
InChIKeyIVPVMGCHTITMER-UHFFFAOYSA-N
XLogP2.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethylbenzeneethanamine
CID 211415
2,5-Dimethylbenzylamine
CID 66735
2-(4-Tert-butyl-2,6-dimethylphenyl)ethan-1-amine
CID 2574642
1-(4-Isopropylphenyl)ethanamine
CID 3728039
4-tert-Butylbenzylamine
CID 2735655
2-(4-Tert-butylphenyl)ethan-1-amine
CID 2735689
2,4-Dimethylbenzylamine
CID 66761
Benzenemethanamine, 3,4-dimethyl-
CID 66888
2,5-Dimethylamphetamine
CID 115412
2-Phenylpropane-1,2-diamine
CID 199923
(2,3-Dimethylphenyl)methanamine
CID 2800811
3-(2,4-Dimethylphenyl)propan-1-amine
CID 4962541

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine (CID 116855593) is 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine is Cc1cc(C(C)(C)C)cc(C)c1C(C)(N)CN.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine?
The InChIKey is IVPVMGCHTITMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-10-7-12(14(3,4)5)8-11(2)13(10)15(6,17)9-16/h7-8H,9,16-17H2,1-6H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine?
2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)propane-1,2-diamine is sourced from PubChem (CID 116855593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).