5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine

C13H19ClFN — CID 64504471

IUPAC5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCc1c(F)cccc1Cl
InChIInChI=1S/C13H19ClFN/c1-3-16-10(2)6-4-7-11-12(14)8-5-9-13(11)15/h5,8-10,16H,3-4,6-7H2,1-2H3
InChIKeyQRHPYRBIWUEXAG-UHFFFAOYSA-N
MW243.75 g/mol
LogP3.80
Rot. Bonds6

About 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine

5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine (PubChem CID 64504471) has the molecular formula C13H19ClFN and a molecular weight of 243.75 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
PubChem CID64504471
Molecular FormulaC13H19ClFN
Molecular Weight243.75 g/mol
Exact Mass243.12
IUPAC Name5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine
SMILESCCNC(C)CCCc1c(F)cccc1Cl
InChIInChI=1S/C13H19ClFN/c1-3-16-10(2)6-4-7-11-12(14)8-5-9-13(11)15/h5,8-10,16H,3-4,6-7H2,1-2H3
InChIKeyQRHPYRBIWUEXAG-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromohexyl)-1-chloro-3-fluorobenzene
CID 64507407
6-(2-chloro-6-fluorophenyl)hexan-3-amine
CID 64503216
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
3-(2-chloro-6-fluorophenyl)-N-ethyl-1-phenylpropan-1-amine
CID 63400371
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
2-[(2-chloro-6-fluorophenyl)methylamino]propane-1-thiol
CID 130205125
N-[(2-chloro-6-fluorophenyl)methyl]heptan-4-amine
CID 146174762
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
N-[(2-chloro-6-fluorophenyl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688164
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987218
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
1,3-dichloro-2-(4-chlorohexyl)benzene
CID 64506411

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine (CID 64504471) is 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine is CCNC(C)CCCc1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine?
The InChIKey is QRHPYRBIWUEXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN/c1-3-16-10(2)6-4-7-11-12(14)8-5-9-13(11)15/h5,8-10,16H,3-4,6-7H2,1-2H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine?
5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine has a molecular weight of 243.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 64504471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).