3-(4-fluorophenyl)heptan-4-amine

C13H20FN — CID 83047471

IUPAC3-(4-fluorophenyl)heptan-4-amine
SMILESCCCC(N)C(CC)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-3-5-13(15)12(4-2)10-6-8-11(14)9-7-10/h6-9,12-13H,3-5,15H2,1-2H3
InChIKeyYLQZSEAJSVPCFK-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.45
Rot. Bonds5

About 3-(4-fluorophenyl)heptan-4-amine

3-(4-fluorophenyl)heptan-4-amine (PubChem CID 83047471) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)heptan-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)heptan-4-amine
PubChem CID83047471
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-(4-fluorophenyl)heptan-4-amine
SMILESCCCC(N)C(CC)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-3-5-13(15)12(4-2)10-6-8-11(14)9-7-10/h6-9,12-13H,3-5,15H2,1-2H3
InChIKeyYLQZSEAJSVPCFK-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)pentan-2-amine
CID 66437850
3-(5-fluoro-2-pyridinyl)heptan-4-amine
CID 112586757
1-(4-fluorophenyl)-1-phenylpentan-2-amine
CID 83047108
1-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
4-(4-fluorophenyl)-N-methylhexan-3-amine
CID 79307068
1-fluoro-4-(2-methylheptan-3-yl)benzene
CID 57227852
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
4-(2-amino-1-fluoropentan-3-yl)-N-methylaniline
CID 134316618
[1-(4-fluorophenyl)-2-propylpentyl]hydrazine
CID 105284035
1-fluoro-4-octan-4-ylbenzene
CID 70993007

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)heptan-4-amine?
The IUPAC name of 3-(4-fluorophenyl)heptan-4-amine (CID 83047471) is 3-(4-fluorophenyl)heptan-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)heptan-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)heptan-4-amine is CCCC(N)C(CC)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)heptan-4-amine?
The InChIKey is YLQZSEAJSVPCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-5-13(15)12(4-2)10-6-8-11(14)9-7-10/h6-9,12-13H,3-5,15H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)heptan-4-amine?
3-(4-fluorophenyl)heptan-4-amine has a molecular weight of 209.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)heptan-4-amine is sourced from PubChem (CID 83047471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).