N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine

C15H24FNO — CID 107170874

IUPACN-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
SMILESCCC(CNC(C)(C)C)Oc1ccc(C)c(F)c1
InChIInChI=1S/C15H24FNO/c1-6-12(10-17-15(3,4)5)18-13-8-7-11(2)14(16)9-13/h7-9,12,17H,6,10H2,1-5H3
InChIKeyMDLTZTAXOPLNPL-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.68
Rot. Bonds5

About N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine

N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine (PubChem CID 107170874) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
PubChem CID107170874
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
SMILESCCC(CNC(C)(C)C)Oc1ccc(C)c(F)c1
InChIInChI=1S/C15H24FNO/c1-6-12(10-17-15(3,4)5)18-13-8-7-11(2)14(16)9-13/h7-9,12,17H,6,10H2,1-5H3
InChIKeyMDLTZTAXOPLNPL-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine (CID 107170874) is N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine is CCC(CNC(C)(C)C)Oc1ccc(C)c(F)c1.
What is the InChIKey of N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine?
The InChIKey is MDLTZTAXOPLNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-12(10-17-15(3,4)5)18-13-8-7-11(2)14(16)9-13/h7-9,12,17H,6,10H2,1-5H3.
What are the key properties of N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine?
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine has a molecular weight of 253.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine is sourced from PubChem (CID 107170874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).