4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine

C15H23ClFN — CID 90210361

IUPAC4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1cc(Cl)c(F)c(C(C)(C)C)c1
InChIInChI=1S/C15H23ClFN/c1-10(5-6-18)7-11-8-12(15(2,3)4)14(17)13(16)9-11/h8-10H,5-7,18H2,1-4H3
InChIKeyIJRINVZDZJAQAN-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.30
Rot. Bonds4

About 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine

4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine (PubChem CID 90210361) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine
PubChem CID90210361
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine
SMILESCC(CCN)Cc1cc(Cl)c(F)c(C(C)(C)C)c1
InChIInChI=1S/C15H23ClFN/c1-10(5-6-18)7-11-8-12(15(2,3)4)14(17)13(16)9-11/h8-10H,5-7,18H2,1-4H3
InChIKeyIJRINVZDZJAQAN-UHFFFAOYSA-N
XLogP4.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine?
The IUPAC name of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine (CID 90210361) is 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine.
What is the SMILES notation for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine?
The canonical SMILES for 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine is CC(CCN)Cc1cc(Cl)c(F)c(C(C)(C)C)c1.
What is the InChIKey of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine?
The InChIKey is IJRINVZDZJAQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-10(5-6-18)7-11-8-12(15(2,3)4)14(17)13(16)9-11/h8-10H,5-7,18H2,1-4H3.
What are the key properties of 4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine?
4-(3-tert-butyl-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.30, 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-5-chloro-4-fluorophenyl)-3-methylbutan-1-amine is sourced from PubChem (CID 90210361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).