2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine

C15H22ClFN2 — CID 114843385

IUPAC2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1cc(Cl)ccc1F
InChIInChI=1S/C15H22ClFN2/c1-3-12-6-4-10(2)19(12)15(9-18)13-8-11(16)5-7-14(13)17/h5,7-8,10,12,15H,3-4,6,9,18H2,1-2H3
InChIKeyOXQKYKHHRAKXKT-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.74
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine

2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine (PubChem CID 114843385) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
PubChem CID114843385
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1cc(Cl)ccc1F
InChIInChI=1S/C15H22ClFN2/c1-3-12-6-4-10(2)19(12)15(9-18)13-8-11(16)5-7-14(13)17/h5,7-8,10,12,15H,3-4,6,9,18H2,1-2H3
InChIKeyOXQKYKHHRAKXKT-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 114453514
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 83228040
2-(5-chloro-2-fluorophenyl)-2-(3-ethyl-4-methylpiperazin-1-yl)ethanamine
CID 114843183
2-(5-chloro-2-fluorophenyl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 114843214
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 83227168
2-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
CID 83219179
2-(5-chloro-2-fluorophenyl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 114843181
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(furan-2-yl)ethanamine
CID 83227946
2-(5-chloro-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 114843187
[4-chloro-2-(2-ethyl-5-methylpyrrolidin-1-yl)phenyl]methanamine
CID 83227050
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
(5-chloro-2-fluorophenyl)-(4-ethylcyclohexyl)methanamine
CID 114885926

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine (CID 114843385) is 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine is CCC1CCC(C)N1C(CN)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is OXQKYKHHRAKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-12-6-4-10(2)19(12)15(9-18)13-8-11(16)5-7-14(13)17/h5,7-8,10,12,15H,3-4,6,9,18H2,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114843385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).