N-ethyl-2-(3-fluorophenyl)pentan-3-amine

C13H20FN — CID 79308586

IUPACN-ethyl-2-(3-fluorophenyl)pentan-3-amine
SMILESCCNC(CC)C(C)c1cccc(F)c1
InChIInChI=1S/C13H20FN/c1-4-13(15-5-2)10(3)11-7-6-8-12(14)9-11/h6-10,13,15H,4-5H2,1-3H3
InChIKeyJXQLSUHSIDOING-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-2-(3-fluorophenyl)pentan-3-amine

N-ethyl-2-(3-fluorophenyl)pentan-3-amine (PubChem CID 79308586) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)pentan-3-amine
PubChem CID79308586
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC NameN-ethyl-2-(3-fluorophenyl)pentan-3-amine
SMILESCCNC(CC)C(C)c1cccc(F)c1
InChIInChI=1S/C13H20FN/c1-4-13(15-5-2)10(3)11-7-6-8-12(14)9-11/h6-10,13,15H,4-5H2,1-3H3
InChIKeyJXQLSUHSIDOING-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952
N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine
CID 20642773
N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 80605462
N-ethyl-1-(3-fluorophenyl)sulfanyl-3-methylpentan-2-amine
CID 79445793
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
2-(4-bromophenyl)-N-ethylpentan-3-amine
CID 79308085
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
N-[(3-fluorophenyl)-[3-(2-methylpropyl)phenyl]methyl]ethanamine
CID 116543854
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)pentan-3-amine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)pentan-3-amine (CID 79308586) is N-ethyl-2-(3-fluorophenyl)pentan-3-amine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)pentan-3-amine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)pentan-3-amine is CCNC(CC)C(C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)pentan-3-amine?
The InChIKey is JXQLSUHSIDOING-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-4-13(15-5-2)10(3)11-7-6-8-12(14)9-11/h6-10,13,15H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)pentan-3-amine?
N-ethyl-2-(3-fluorophenyl)pentan-3-amine has a molecular weight of 209.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)pentan-3-amine is sourced from PubChem (CID 79308586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).