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

C17H29N — CID 116924866

IUPAC4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(C)CCN
InChIInChI=1S/C17H29N/c1-12(7-8-18)9-16-13(2)10-15(11-14(16)3)17(4,5)6/h10-12H,7-9,18H2,1-6H3
InChIKeyDJMLFHVAMXFZRX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.13
Rot. Bonds4

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

4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine (PubChem CID 116924866) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine
PubChem CID116924866
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(C)CCN
InChIInChI=1S/C17H29N/c1-12(7-8-18)9-16-13(2)10-15(11-14(16)3)17(4,5)6/h10-12H,7-9,18H2,1-6H3
InChIKeyDJMLFHVAMXFZRX-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine?
The IUPAC name of 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine (CID 116924866) is 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine is Cc1cc(C(C)(C)C)cc(C)c1CC(C)CCN.
What is the InChIKey of 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine?
The InChIKey is DJMLFHVAMXFZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(7-8-18)9-16-13(2)10-15(11-14(16)3)17(4,5)6/h10-12H,7-9,18H2,1-6H3.
What are the key properties of 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine?
4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 116924866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).