2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine

C15H23ClFN3 — CID 114843143

IUPAC2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
SMILESCN(C)CC1CCCN1C(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFN3/c1-19(2)10-12-4-3-7-20(12)15(9-18)13-6-5-11(16)8-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3
InChIKeyFEQBGNIIUNCVJT-UHFFFAOYSA-N
MW299.82 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine

2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine (PubChem CID 114843143) has the molecular formula C15H23ClFN3 and a molecular weight of 299.82 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
PubChem CID114843143
Molecular FormulaC15H23ClFN3
Molecular Weight299.82 g/mol
Exact Mass299.16
IUPAC Name2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
SMILESCN(C)CC1CCCN1C(CN)c1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFN3/c1-19(2)10-12-4-3-7-20(12)15(9-18)13-6-5-11(16)8-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3
InChIKeyFEQBGNIIUNCVJT-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.82
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62886589
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114843235
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanamine
CID 62885714
2-(4-bromo-3-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 81436524
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-ethoxyphenyl)ethanamine
CID 62884895
2-(4-chloro-2-fluorophenyl)-2-pyrrolidin-1-ylethanamine
CID 114842786
2-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 60974674
2-(azocan-1-yl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 114842840
2-(4,5-dibromofuran-2-yl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine
CID 62887499
2-(4-bromo-2-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052540
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822274

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine (CID 114843143) is 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine is CN(C)CC1CCCN1C(CN)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
The InChIKey is FEQBGNIIUNCVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN3/c1-19(2)10-12-4-3-7-20(12)15(9-18)13-6-5-11(16)8-14(13)17/h5-6,8,12,15H,3-4,7,9-10,18H2,1-2H3.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine?
2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine has a molecular weight of 299.82 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 114843143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).