1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine

C17H29N — CID 60818626

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(N)C(C)C
InChIInChI=1S/C17H29N/c1-11(2)16(18)10-15-12(3)8-14(9-13(15)4)17(5,6)7/h8-9,11,16H,10,18H2,1-7H3
InChIKeyKEYOILQWORRYCU-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.13
Rot. Bonds3

About 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine

1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine (PubChem CID 60818626) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
PubChem CID60818626
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(N)C(C)C
InChIInChI=1S/C17H29N/c1-11(2)16(18)10-15-12(3)8-14(9-13(15)4)17(5,6)7/h8-9,11,16H,10,18H2,1-7H3
InChIKeyKEYOILQWORRYCU-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine (CID 60818626) is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine is Cc1cc(C(C)(C)C)cc(C)c1CC(N)C(C)C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine?
The InChIKey is KEYOILQWORRYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-11(2)16(18)10-15-12(3)8-14(9-13(15)4)17(5,6)7/h8-9,11,16H,10,18H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine?
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine is sourced from PubChem (CID 60818626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).