2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine

C15H24FN — CID 114013785

IUPAC2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine
SMILESCCCC(C)C(N)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-5-6-11(2)14(17)15(3,4)12-7-9-13(16)10-8-12/h7-11,14H,5-6,17H2,1-4H3
InChIKeyBKQBWZFYJLQUSZ-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.87
Rot. Bonds5

About 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine

2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine (PubChem CID 114013785) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine
PubChem CID114013785
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine
SMILESCCCC(C)C(N)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-5-6-11(2)14(17)15(3,4)12-7-9-13(16)10-8-12/h7-11,14H,5-6,17H2,1-4H3
InChIKeyBKQBWZFYJLQUSZ-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine?
The IUPAC name of 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine (CID 114013785) is 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine?
The canonical SMILES for 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine is CCCC(C)C(N)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine?
The InChIKey is BKQBWZFYJLQUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-6-11(2)14(17)15(3,4)12-7-9-13(16)10-8-12/h7-11,14H,5-6,17H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine?
2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine has a molecular weight of 237.36 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2,4-dimethylheptan-3-amine is sourced from PubChem (CID 114013785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).