2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine

C13H20FN — CID 79446365

IUPAC2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)C(CNC)c1cccc(F)c1
InChIInChI=1S/C13H20FN/c1-4-10(2)13(9-15-3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyJOOHMVZTQCLVKB-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.17
Rot. Bonds5

About 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine

2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine (PubChem CID 79446365) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
PubChem CID79446365
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)C(CNC)c1cccc(F)c1
InChIInChI=1S/C13H20FN/c1-4-10(2)13(9-15-3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3
InChIKeyJOOHMVZTQCLVKB-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 22708359
2-butan-2-yloxy-2-(3-fluorophenyl)-N-methylethanamine
CID 62107675
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(1-bromopropyl)-3-fluorobenzene
CID 70101936
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757
2-(3-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66243831
2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 79496374
2-(3-fluorophenyl)-3-methylhexan-1-ol
CID 107894996
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine (CID 79446365) is 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine is CCC(C)C(CNC)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is JOOHMVZTQCLVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-10(2)13(9-15-3)11-6-5-7-12(14)8-11/h5-8,10,13,15H,4,9H2,1-3H3.
What are the key properties of 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine?
2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 79446365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).