4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine

C15H22F3N — CID 88873589

IUPAC4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine
SMILESCc1c(F)c(F)c(C(C)(C)C)c(F)c1CCCCN
InChIInChI=1S/C15H22F3N/c1-9-10(7-5-6-8-19)13(17)11(15(2,3)4)14(18)12(9)16/h5-8,19H2,1-4H3
InChIKeyFKDKMIUFMXHOAL-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.99
Rot. Bonds4

About 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine

4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine (PubChem CID 88873589) has the molecular formula C15H22F3N and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine
PubChem CID88873589
Molecular FormulaC15H22F3N
Molecular Weight273.34 g/mol
Exact Mass273.17
IUPAC Name4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine
SMILESCc1c(F)c(F)c(C(C)(C)C)c(F)c1CCCCN
InChIInChI=1S/C15H22F3N/c1-9-10(7-5-6-8-19)13(17)11(15(2,3)4)14(18)12(9)16/h5-8,19H2,1-4H3
InChIKeyFKDKMIUFMXHOAL-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine?
The IUPAC name of 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine (CID 88873589) is 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine.
What is the SMILES notation for 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine?
The canonical SMILES for 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine is Cc1c(F)c(F)c(C(C)(C)C)c(F)c1CCCCN.
What is the InChIKey of 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine?
The InChIKey is FKDKMIUFMXHOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N/c1-9-10(7-5-6-8-19)13(17)11(15(2,3)4)14(18)12(9)16/h5-8,19H2,1-4H3.
What are the key properties of 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine?
4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine has a molecular weight of 273.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-2,4,5-trifluoro-6-methylphenyl)butan-1-amine is sourced from PubChem (CID 88873589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).