2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine

C17H17ClFN — CID 62880715

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C17H17ClFN/c18-14-7-4-8-15(19)13(14)11-16(20)17(9-10-17)12-5-2-1-3-6-12/h1-8,16H,9-11,20H2
InChIKeyPLKIWMKPQOTMNZ-UHFFFAOYSA-N
MW289.78 g/mol
LogP4.08
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine

2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine (PubChem CID 62880715) has the molecular formula C17H17ClFN and a molecular weight of 289.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
PubChem CID62880715
Molecular FormulaC17H17ClFN
Molecular Weight289.78 g/mol
Exact Mass289.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
SMILESNC(Cc1c(F)cccc1Cl)C1(c2ccccc2)CC1
InChIInChI=1S/C17H17ClFN/c18-14-7-4-8-15(19)13(14)11-16(20)17(9-10-17)12-5-2-1-3-6-12/h1-8,16H,9-11,20H2
InChIKeyPLKIWMKPQOTMNZ-UHFFFAOYSA-N
XLogP4.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclobutyl)ethanamine
CID 115983760
2-(2-chloro-5-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 102618859
2-(2-chloro-4-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine
CID 63079499
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
CID 28804612
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
[2-(2-chloro-6-fluorophenyl)-1-phenylethyl]hydrazine
CID 105199154
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
2-(4-chloro-2-fluorophenyl)-1-(1-phenylcyclopropyl)ethanol
CID 114854613
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine (CID 62880715) is 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine is NC(Cc1c(F)cccc1Cl)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine?
The InChIKey is PLKIWMKPQOTMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN/c18-14-7-4-8-15(19)13(14)11-16(20)17(9-10-17)12-5-2-1-3-6-12/h1-8,16H,9-11,20H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine?
2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine has a molecular weight of 289.78 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1-phenylcyclopropyl)ethanamine is sourced from PubChem (CID 62880715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).